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:


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Molecular Formula: C4H9NO2

Natural Isotopic Abundance Mass: 103.11976

Mono-Isotopic Molecular Masses:

  • C12N14: 89.0602545331
  • C13N14: 93.0736738843
  • 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)/t3-/m1/s1

PubChem Compound (CID): 64956
CAS Registry number: 144-90-1 10569-72-9
Sigma-Aldrich: 217794_ALDRICH
ChemIDplus: 010569729
ChemSpider: 58481
BIND: 563
EINECS: 234-154-7
KEGG Compound ID: C05145
ChemDB: 6680117
NIST Chemistry WebBook: 2880842530

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,