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:

N,N-Dimethylglycine image

View large 3D structure

Molecular Formula: C4 H9 N O2

Natural Isotopic Abundance Mass: 103.1197600000

Mono-Isotopic Molecular Masses:

  • C12N14: 103.063328538
  • C13N14: 107.076747889
  • C12N15: 104.060363431
  • C13N15: 108.0737827827

InChI String: InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye
2-dimethylaminoacetic acid

IUPAC systematic
2-dimethylaminoethanoic acid

PubChem Substance (SID):   85165049   212878   4271
PubChem Compound (CID):   673
KEGG: Compound ID   C01026
CAS Registry IDs:   1118-68-9   17647-86-8   18319-88-5   2491-06-7
PDB Chemical Component   DMG
Miscellaneous Databases and IDs:   CHEBI 17724   Beilstein Handbook Reference 4-04-00-02365   EINECS 214-267-8

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,