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

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ChEBI Name	3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid

ChEBI ID	CHEBI:143310

Definition	A carboxylic acid that is 3-phenylpropanoic acid substituted at position 4 by a 2-hydroxy-3-(propan-2-ylamino)propoxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C15H23NO4

Net Charge

Average Mass

281.34740

Monoisotopic Mass

281.16271

InChI

InChI=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)

InChIKey

ILSCWPMGTDPATI-UHFFFAOYSA-N

SMILES

CC(C)NCC(O)COc1ccc(CCC(O)=O)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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	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 acid	ChEBI

Last Modified

13 October 2015