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CHEBI:138668 - N,N-dimethyl-β-alanine

ChEBI IDCHEBI:138668
ChEBI NameN,N-dimethyl-β-alanine
Stars
ASCII NameN,N-dimethyl-beta-alanine
DefinitionA β-amino acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by a dimethylamino group.
Last Modified12 October 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC5H11NO2
Net Charge0
Average Mass117.148
Monoisotopic Mass117.07898
SMILESCN(C)CCC(=O)O
InChIInChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyJMOXSQYGVIXBBZ-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,N-dimethyl-β-alanine (CHEBI:138668) has functional parent N-methyl-β-alanine (CHEBI:138669)
N,N-dimethyl-β-alanine (CHEBI:138668) is a tertiary amino compound (CHEBI:50996)
N,N-dimethyl-β-alanine (CHEBI:138668) is a β-amino acid (CHEBI:33706)
IUPAC Name 
N,N-dimethyl-β-alanine
Synonyms  Source
3-dimethylaminopropionic acidChEBI
3-(dimethylamino)propanoic acidIUPAC
3-(dimethylamino)propionic acidIUPAC
3-dimethylaminopropanoic acidChEBI
3-(N,N-dimethylamino)propionic acidChEBI
3-(N,N-dimethylamino)propanoic acidChEBI
Manual XrefsDatabases
CPD-6142MetaCyc
Registry NumbersSources
Reaxys:1700763Reaxys
CAS:6300-04-5PubChem Compound
Citations