Biological Magnetic Resonance Data Bank

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

Methyl 4-aminobutyrate

Graphical representations:

Methyl 4-aminobutyrate image

Molecular Formula: C5 H11 N O2

Natural Isotopic Abundance Mass: 117.1463400000

Mono-Isotopic Molecular Masses:

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

InCHi String:

isomeric and canonical SMILES: COC(=O)CCCN

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
methyl 4-aminobutanoate

IUPAC traditional
4-aminobutanoic acid methyl ester

PubChem Substance (SID):   85165056   161621
PubChem Compound (CID):   18614
KEGG: Compound ID   n/a
CAS Registry IDs:   13031-60-2   3251-07-8
PDB Chemical Component   GVE
Miscellaneous Databases and IDs:   Beilstein Handbook Reference 3-04-00-01316

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.