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CHEBI:143310 - 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid

ChEBI IDCHEBI:143310
ChEBI Name3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid
Stars
DefinitionA carboxylic acid that is 3-phenylpropanoic acid substituted at position 4 by a 2-hydroxy-3-(propan-2-ylamino)propoxy group.
Last Modified13 October 2015
DownloadsMolfile
FormulaC15H23NO4
Net Charge0
Average Mass281.352
Monoisotopic Mass281.16271
SMILESCC(C)NCC(O)COc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyILSCWPMGTDPATI-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)
3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid (CHEBI:143310) is a carboxylic acid (CHEBI:33575)
3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid (CHEBI:143310) is a ethanolamines (CHEBI:23981)
3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid (CHEBI:143310) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
esmolol (CHEBI:4856) has functional parent 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid (CHEBI:143310)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) has functional parent 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid (CHEBI:143310)
IUPAC Name 
3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid
Synonym  Source
3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propionic acidChEBI
Registry NumbersSources
Reaxys:5284008Reaxys
CAS:81148-15-4ChemIDplus