Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C5H9NO3

Natural Isotopic Abundance Mass: 131.1298600000

Mono-Isotopic Molecular Masses:

  • C12N14: 131.05824316
  • C13N14: 136.075017349
  • C12N15: 132.055278054
  • C13N15: 136.075017349

InChI string: InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/f/h6,8H

IUPAC: 2-acetamidopropanoic acid

PubChem Compound (CID): 7345
CAS Registry number: 97-69-8
EINECS: 202-602-0
NSC: 186892

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,