methyl (3R,7aS)-5-oxo-3-phenyl-hexahydropyrrolo[1,2-c][1,3]oxazole-6-carboxylate , CAS No.1264298-11-4

CAS: 1264298-11-4 Cat. No.: M669692 PubChem CID: 71650748

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: COC(=O)C1C(=O)N2[C@@](CO[C@@H]2C3=CC=CC=C3)([H])C1
• IUPAC Name: methyl (3R,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate
• InChIKey: YWEWUMPGZRYRBN-CCQDYZPNSA-N
• INCHI: 1S/C14H15NO4/c1-18-14(17)11-7-10-8-19-13(15(10)12(11)16)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11?,13+/m0/s1
• PubChem CID: 71650748

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Oxazolidines Methyl esters Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 1,3-dicarbonyl compound - N-alkylpyrrolidine - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Oxazolidine - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. 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