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1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one

Go to external page http://purl.obolibrary.org/obo/CHEBI_45265

A member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 4 have been replaced by pentan-2-ylamino and 2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl groups, respectively.

Term info

Label

1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one

Synonyms
  • 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid [ IUPAC ]

charge

0

formula

C18H26N2O5

has obo namespace

chebi_ontology

has related synonym

1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE

id

CHEBI:45265

inchi

InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)

inchikey

BNIJJJRESBVRNB-UHFFFAOYSA-N

mass

350.40940

monoisotopicmass

350.18417

smiles

CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O