bmse000249 Methyl 4-aminobutyrate at BMRB

Methyl 4-aminobutyrate

Methyl 4-aminobutanoate; Methyl gamma-aminobutyrate; 4-Aminobutyric acid methyl ester; GABA methyl ester; Methyl 4-aminobutyrate; Butanoic acid, 4-amino-, methyl ester (9CI); BUTYRIC ACID, 4-AMINO-, METHYL ESTER

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

Methyl 4-aminobutyrate

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

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.