EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77042 - N,N-dimethyl-L-alanine

Default Structure
ChEBI IDCHEBI:77042
ChEBI NameN,N-dimethyl-L-alanine
Stars
ASCII NameN,N-dimethyl-L-alanine
DefinitionA methyl-L-alanine in which both the amino hydrogens of L-alanine are replaced by methyl groups.
Secondary ChEBI IDCHEBI:43658
Last Modified21 January 2014
SubmitterSteve
DownloadsMolfile
FormulaC5H11NO2
Net Charge0
Average Mass117.148
Monoisotopic Mass117.07898
SMILESC[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKeyQCYOIFVBYZNUNW-BYPYZUCNSA-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-L-alanine (CHEBI:77042) is a methyl-L-alanine (CHEBI:25264)
Incoming Relation(s)
N,N-dimethyl-L-alanyl group (CHEBI:77037) is substituent group from N,N-dimethyl-L-alanine (CHEBI:77042)
IUPAC Name 
N,N-dimethyl-L-alanine
Synonyms  Source
(2S)-2-(dimethylamino)propanoic acidChEBI
N,N-dimethylalanineChEBI
N(alpha),N(alpha)-DimethylalanineChemIDplus
Manual XrefsDatabases
DB02167DrugBank
LALPDBeChem
Registry NumbersSources
Reaxys:2323116Reaxys
CAS:2812-31-9ChemIDplus