BMRB

Biological Magnetic Resonance Data Bank


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

DL-3-Aminoisobutyric acid

Graphical representations:

DL-3-Aminoisobutyric acid image

Molecular Formula: C4 H9 N O2

Natural Isotopic Abundance Mass: 103.11976

Mono-Isotopic Molecular Masses:

  • C12N14: 103.0633285383
  • C13N14: 107.0767478895
  • C12N15: 104.0603634315
  • C13N15: 108.0737827827

InCHi String: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
3-amino-2-methylpropanoic acid

PUBCHEM iupac TRADITIONAL NAME
3-amino-2-methyl-propionic acid

PUBCHEM iupac OPENEYE NAME
3-amino-2-methyl-propanoic acid

PUBCHEM iupac SYSTEMATIC NAME
3-azanyl-2-methyl-propanoic acid

PubChem Substance (SID):   126596868   24853033   92297538
PubChem Compound (CID):   64956
KEGG: Compound ID   C05145
CAS Registry IDs:   144-90-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 144-90-1   MDL number MFCD00008145   Beilstein Registry Number 1720958   EC Number 205-644-8   Sigma-Aldrich 217794_ALDRICH   ChemSpider 58481   LipidMAPS LMFA01100054   NIST Chemistry WebBook 2880842530   NIST 3416055009

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.