methyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanoate - ≥97% , CAS No.114106-84-2

CAS: 114106-84-2 Cat. No.: M626967 Molecular Weight: 187.24 PubChem CID: 13837293

GRADE & PURITY ≥97%

Synonyms

114106-84-2 | 1-Pyrrolidinepropanoic acid, 2-(hydroxymethyl)-, methyl ester, (S)- (9CI) | (S)-Methyl3-(2-(hydroxymethyl)pyrrolidin-1-yl)propanoate | AKOS017576264 | F86983 | (S)-Methyl 3-(2-(hydroxymethyl)pyrrolidin-1-yl)propanoate | Methyl3-[(2s)-2-(hydr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

114106-84-2 | 1-Pyrrolidinepropanoic acid, 2-(hydroxymethyl)-, methyl ester, (S)- (9CI) | (S)-Methyl3-(2-(hydroxymethyl)pyrrolidin-1-yl)propanoate | AKOS017576264 | F86983 | (S)-Methyl 3-(2-(hydroxymethyl)pyrrolidin-1-yl)propanoate | Methyl3-[(2s)-2-(hydr

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)CCN1CCCC1CO
• IUPAC Name: methyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
• InChIKey: YXASICFQNIHUPQ-QMMMGPOBSA-N
• INCHI: 1S/C9H17NO3/c1-13-9(12)4-6-10-5-2-3-8(10)7-11/h8,11H,2-7H2,1H3/t8-/m0/s1
• PubChem CID: 13837293
• Molecular Weight: 187.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Methyl esters Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Methyl ester - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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