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CHEBI:138669 - N-methyl-β-alanine

ChEBI IDCHEBI:138669
ChEBI NameN-methyl-β-alanine
Stars
ASCII NameN-methyl-beta-alanine
DefinitionA β-amino acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by a methylamino group.
Last Modified12 October 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC4H9NO2
Net Charge0
Average Mass103.121
Monoisotopic Mass103.06333
SMILESCNCCC(=O)O
InChIInChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyVDIPNVCWMXZNFY-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)
N-methyl-β-alanine (CHEBI:138669) has functional parent β-alanine (CHEBI:16958)
N-methyl-β-alanine (CHEBI:138669) is a secondary amino compound (CHEBI:50995)
N-methyl-β-alanine (CHEBI:138669) is a β-amino acid (CHEBI:33706)
Incoming Relation(s)
N,N-dimethyl-β-alanine (CHEBI:138668) has functional parent N-methyl-β-alanine (CHEBI:138669)
IUPAC Name 
N-methyl-β-alanine
Synonyms  Source
3-(methylamino)propanoic acidIUPAC
3-(methylamino)propionic acidIUPAC
3-methylaminopropanoic acidChEBI
3-methylaminopropionic acidChEBI
Manual XrefsDatabases
CPD-6141MetaCyc
Registry NumbersSources
Reaxys:773862Reaxys
CAS:2679-14-3ChemIDplus
Citations