EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116150 - 3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester

ChEBI IDCHEBI:116150
ChEBI Name3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC15H15NO5
Net Charge0
Average Mass289.287
Monoisotopic Mass289.09502
SMILESO=C(COC(=O)C=Cc1ccc2c(c1)OCO2)NC1CC1
InChIInChI=1S/C15H15NO5/c17-14(16-11-3-4-11)8-19-15(18)6-2-10-1-5-12-13(7-10)21-9-20-12/h1-2,5-7,11H,3-4,8-9H2,(H,16,17)
InChIKeyCWEMYEUMTPISEA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester (CHEBI:116150) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-27606LINCS