BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

R-(+)-2-Pyrrolidinone-5-carboxylate

Graphical representations:

R-(+)-2-Pyrrolidinone-5-carboxylate image

Molecular Formula: C5 H7 N O3

Natural Isotopic Abundance Mass: 129.11398

Mono-Isotopic Molecular Masses:

  • C12N14: 129.0425930962
  • C13N14: 134.0593672852
  • C12N15: 130.0396279894
  • C13N15: 135.0564021784

InCHi String: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1

canonical SMILES: C1CC(=O)NC1C(=O)O

isomeric SMILES: C1CC(=O)N[C@H]1C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2R)-5-oxopyrrolidine-2-carboxylic acid

PUBCHEM iupac TRADITIONAL NAME
pyroglutamic acid

PUBCHEM iupac CAS NAME
(2R)-5-oxo-2-pyrrolidinecarboxylic acid

PubChem Substance (SID):   85165268   5301   8143592
PubChem Compound (CID):   439685
KEGG: Compound ID   C02237
CAS Registry IDs:   4042-36-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 422614_ALDRICH   ChEBI CHEBI:16924   ChemSpider 388752   MMCD cq_01415   MDL MFCD00066212

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.