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: C4H9N3O2

Natural Isotopic Abundance Mass: 131.1331600000

Mono-Isotopic Molecular Masses:

  • C12N14: 131.069476549
  • C13N14: 135.0828959
  • C12N15: 134.060581228
  • C13N15: 138.0740005795

InChI string: InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)

IUPAC: 2-(carbamimidoyl-methyl-amino)acetic acid

PubChem Compound (CID): 586
KEGG Compound ID: C00300
CAS Registry number: 57-00-1
ChEBI: 16919
EINECS: 200-306-6
NSC: 8752
PDB Compound ID: CRN

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,