Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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N-(2-Acetamido)iminodiacetic Acid

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Molecular Formula: C6H10N2O5

Natural Isotopic Abundance Mass: 190.1540000000

Mono-Isotopic Molecular Masses:

  • C12N14: 190.058971442
  • C13N14: 196.079100469
  • C12N15: 192.053041228
  • C13N15: 198.0731702551

InChI string: InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)

IUPAC: 2-(carbamoylmethyl-(carboxymethyl)amino)acetic acid

PubChem Compound (CID): 117765
CAS Registry number: 26239-55-4
EINECS: 247-530-0
PDB Compound ID: MHA

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,