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

Graphical representations:

N-(2-Acetamido)iminodiacetic acid image

View large 3D structure

Molecular Formula: C6 H10 N2 O5

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)

isomeric and canonical SMILES: C(C(=O)N)N(CC(=O)O)CC(=O)O

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

IUPAC systematic
2-(aminocarbonylmethyl-(carboxymethyl)amino)ethanoic acid

PubChem Substance (SID):   85164975   694467
PubChem Compound (CID):   117765
KEGG: Compound ID   n/a
CAS Registry IDs:   26239-55-4
PDB Chemical Component   MHA
Miscellaneous Databases and IDs:   EINECS 247-530-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,