EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:37755 - 4-(methylamino)butyric acid

Default Structure
ChEBI IDCHEBI:37755
ChEBI Name4-(methylamino)butyric acid
Stars
DefinitionA γ-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group.
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H11NO2
Net Charge0
Average Mass117.148
Monoisotopic Mass117.07898
SMILESCNCCCC(=O)O
InChIInChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyAOKCDAVWJLOAHG-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-(methylamino)butyric acid (CHEBI:37755) has functional parent butyric acid (CHEBI:30772)
4-(methylamino)butyric acid (CHEBI:37755) has functional parent γ-aminobutyric acid (CHEBI:16865)
4-(methylamino)butyric acid (CHEBI:37755) is a γ-amino acid (CHEBI:33707)
4-(methylamino)butyric acid (CHEBI:37755) is conjugate acid of 4-(methylamino)butyrate (CHEBI:20441)
4-(methylamino)butyric acid (CHEBI:37755) is tautomer of 4-(methylamino)butyric acid zwitterion (CHEBI:66882)
Incoming Relation(s)
4-(methylamino)butyrate (CHEBI:20441) is conjugate base of 4-(methylamino)butyric acid (CHEBI:37755)
4-(methylamino)butyric acid zwitterion (CHEBI:66882) is tautomer of 4-(methylamino)butyric acid (CHEBI:37755)
IUPAC Name 
4-(methylamino)butanoic acid
Synonyms  Source
4-(N-methylamino)butyric acidChEBI
4-Methylamino-buttersäureChEBI
gamma-N-MethylaminobutyrateKEGG COMPOUND
γ-methylaminobutyric acidChEBI
Manual XrefsDatabases
C15987KEGG COMPOUND
Registry NumbersSources
Reaxys:1744840Reaxys
CAS:1119-48-8ChemIDplus
CAS:1119-48-8KEGG COMPOUND