Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C5H10N2O3

Natural Isotopic Abundance Mass: 146.1445000000

Mono-Isotopic Molecular Masses:

  • C12N14: 146.069142198
  • C13N14: 151.085916387
  • C12N15: 148.063211984
  • C13N15: 151.085916387

InChI string: InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h9H,7H2

IUPAC: (2S)-2-amino-4-carbamoyl-butanoic acid

PubChem Compound (CID): 5961
KEGG Compound ID: C00303
CAS Registry number: 32640-56-5 56-85-9
ChEBI: 28300
EINECS: 200-292-1
Beilstein Handbook Reference: 4-04-00-03038
NSC: 27421
FEMA No.: 3684

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,