H-Pyr-OH - ≥99% , CAS No.98-79-3

CAS: 98-79-3 Cat. No.: P106004 Formula: C₅H₇NO₃ Molecular Weight: 129.11 Beilstein Registry Number: 82132 EC Number: 202-700-3

GRADE & PURITY ≥99%

Synonyms

L-5-Oxo-2-pyrrolidinecarboxylic acid | L-Pyrrolidinonecarboxylate | MLS001332421 | DTXCID4026260 | pyrrolidone car-boxylic acid | (S)-5-Oxopyrrolidine-2-carboxylic Acid | 2-Benzothiazolesulfenic acid morpholide | (-)-Pyroglutamate | (S)-(-)-2-Pyrrolidone-

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

L-Pyroglutamic acid is a building block for pharmaceuticals and asymmetric synthesis.
A building block for pharmaceuticals and asymmetric synthesis

Specifications

Synonyms

L-5-Oxo-2-pyrrolidinecarboxylic acid | L-Pyrrolidinonecarboxylate | MLS001332421 | DTXCID4026260 | pyrrolidone car-boxylic acid | (S)-5-Oxopyrrolidine-2-carboxylic Acid | 2-Benzothiazolesulfenic acid morpholide | (-)-Pyroglutamate | (S)-(-)-2-Pyrrolidone-

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751332

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751332

Canonical Smiles

C1CC(=O)NC1C(=O)O

IUPAC Name

(2S)-5-oxopyrrolidine-2-carboxylic acid

InChIKey

ODHCTXKNWHHXJC-VKHMYHEASA-N

INCHI

1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1

Isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)O

WGK Germany

3

RTECS

TW3710000

Molecular Weight

129.11

Beilstein

82132

Reaxy-Rn

82131

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyrroline carboxylic acids Cyclic carboximidic acids Lactims Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Pyrroline - Cyclic carboximidic acid - Lactim - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Other amino acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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Associated Targets(non-human)

Ralstonia solanacearum (520 Activities)

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Bacillus thuringiensis (718 Activities)

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Phytophthora infestans (820 Activities)

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Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Pseudoperonospora cubensis (1623 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (10-15% at 20 °C), alcohol, acetone, DMSO, and methanol.
• Sensitivity: Hygroscopic
• Specific Rotation[α]: -10 ° (C=5, H2O)
• Melt Point(°C): 152-162°C
• Molecular Weight: 129.110 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.043 Da
• Monoisotopic Mass: 129.043 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98-79-3, the molecular formula is C5H7NO3, and the molecular weight is 129.11 g/mol. InChIKey ODHCTXKNWHHXJC-VKHMYHEASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.