bmse000080 3,4-Dehydro-d/L-proline at BMRB

3,4-Dehydro-d/L-proline
bmse000080 - data
bmst000063 - theory

3,4-Dehydro-d/L-proline

(1)-2,3-Dihydro-1H-pyrrole-2-carboxylic acid; DL-3,4-Dehydroproline; 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-, (+-)-

Molecular Formula: C5 H7 N O2
Natural Isotopic Abundance Mass: 113.1145800000
Mono-Isotopic Molecular Masses: C12N14: 113.047678474; C13N14: 118.064452663; C12N15: 114.044713367; C13N15: 119.0614875563

3,4-Dehydro-d/L-proline

InCHi String:
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)

isomeric and canonical SMILES:
C1C=CC(N1)C(=O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
2,5-dihydro-1H-pyrrole-2-carboxylic acid

PubChem Substance (SID):   85164925   680495
PubChem Compound (CID):   97858
KEGG: Compound ID   n/a
CAS Registry IDs:   3395-35-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EINECS 222-243-3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.