L-4-Hydroxyproline methyl ester hydrochloride - ≥98% , CAS No.40216-83-9

CAS: 40216-83-9 Cat. No.: H111052 Summenformel: C₆H₁₁NO₃·HCl Molekulargewicht: 181.62 Beilstein Registry Number: 4716932 EG-Nummer: 609-795-4

GRADE & PURITY ≥98%

Synonyms

AKOS015924093 | CCG-256086 | L-hydroxyproline methylester hydrochloride | Methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate Hydrochloride | methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride | SCHEMBL133898 | Methyl (2S,4R)-4-hydroxy-2-pyrrol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

AKOS015924093 | CCG-256086 | L-hydroxyproline methylester hydrochloride | Methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate Hydrochloride | methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride | SCHEMBL133898 | Methyl (2S,4R)-4-hydroxy-2-pyrrol

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504766422

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766422

Kanonisches Lächeln

COC(=O)C1CC(CN1)O.Cl

IUPAC Name

methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

InChIKey

KLGSHNXEUZOKHH-JBUOLDKXSA-N

INCHI

1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1

Isomere SMILES

COC(=O)[C@@H]1C[C@H](CN1)O.Cl

WGK Deutschland

3

Molekulargewicht

181.62

Beilstein

4716932

Reaxy-Rn

4716932

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4716932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids Methyl esters Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Methyl ester - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic chloride salt - Organic oxygen compound - Amine - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

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

Zugehörige Ziele (menschlich)

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

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

EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

Discover Target: EDNRA

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive;Moisture sensitive
• Molekulargewicht: 181.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.051 Da
• Monoisotopic Mass: 181.051 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3