L-Pipecolic acid - ≥98% , CAS No.3105-95-1

CAS: 3105-95-1 Cat. No.: P106214 Formula: C₆H₁₁NO₂ Molecular Weight: 129.16 Beilstein Registry Number: 81093 EC Number: 221-462-1

GRADE & PURITY ≥98%

Synonyms

(-)-Pipecolate | NSC-93089 | EN300-66085 | L-Homoproline | L-(-)-Pipecolate | L-pipecolate | NSC 93089 | (S)-Piperidine-2-carboxylicacid | SCHEMBL40185 | (l)-pipecolic acid | L-(-)-Pipecolinic acid | l(-)-pipecolinic acid | L-Pipecolinate | Z1033300646 |

Storage

Room temperature

Shipped In

Normal

Overview

application：

L-Pipecolinic acid is involved in synaptic transmission in the central nervous system. It is also used as pharmaceutical intermediate.

Specifications

Synonyms

(-)-Pipecolate | NSC-93089 | EN300-66085 | L-Homoproline | L-(-)-Pipecolate | L-pipecolate | NSC 93089 | (S)-Piperidine-2-carboxylicacid | SCHEMBL40185 | (l)-pipecolic acid | L-(-)-Pipecolinic acid | l(-)-pipecolinic acid | L-Pipecolinate | Z1033300646 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

H-HoPro-OH is a breakdown product of lysine, accumulates in body fluids of infants with generalized genetic peroxisomal disorders, such as Zellweger syndrome, neonatal adrenoleukodystrophy.

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488189737

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189737

Canonical Smiles

C1CCNC(C1)C(=O)O

IUPAC Name

(2S)-piperidine-2-carboxylic acid

InChIKey

HXEACLLIILLPRG-YFKPBYRVSA-N

INCHI

1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

Isomeric SMILES

C1CCN[C@@H](C1)C(=O)O

WGK Germany

3

Molecular Weight

129.16

Beilstein

81093

Reaxy-Rn

81095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81095&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
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Piperidinecarboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - Piperidinecarboxylic acid - Piperidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: Piperidine alkaloids

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)

PIPOX Tbio Peroxisomal sarcosine oxidase (13 Activities)

Discover Target: PIPOX

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: insoluble in EtOH; insoluble in DMSO; ≥23 mg/mL in H2O
• Specific Rotation[α]: -27 ° (C=4, H2O)
• Melt Point(°C): 272°C
• Molecular Weight: 129.160 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 3105-95-1, the molecular formula is C6H11NO2, and the molecular weight is 129.16 g/mol. InChIKey HXEACLLIILLPRG-YFKPBYRVSA-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.