Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Methyl 4-aminobutyrate

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Molecular Formula: C5H11NO2

Natural Isotopic Abundance Mass: 117.1463400000

Mono-Isotopic Molecular Masses:

  • C12N14: 117.078978603
  • C13N14: 122.095752792
  • C12N15: 118.076013496
  • C13N15: 123.0927876847

InChI string: InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3

IUPAC: methyl 4-aminobutanoate

PubChem Compound (CID): 18614
CAS Registry number: 13031-60-2 3251-07-8
Beilstein Handbook Reference: 3-04-00-01316
PDB Compound ID: GVE

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,