2-{2-[5-(ethoxycarbonyl)-2-morpholinoanilino]-2-oxoethoxy}acetic acid (CHEBI:167734)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-{2-[5-(ethoxycarbonyl)-2-morpholinoanilino]-2-oxoethoxy}acetic acid

ChEBI ID	CHEBI:167734

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22N2O7

Net Charge

Average Mass

366.370

Monoisotopic Mass

366.14270

InChI

InChI=1S/C17H22N2O7/c1-2-26-17(23)12-3-4-14(19-5-7-24-8-6-19)13(9-12)18-15(20)10-25-11-16(21)22/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,20)(H,21,22)

InChIKey

CWOKIISJEHAUAY-UHFFFAOYSA-N

SMILES

O=C(OCC)C1=CC(NC(=O)COCC(=O)O)=C(N2CCOCC2)C=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). See: MetaboLights Study
Homo sapiens (NCBI:txid9606 Homo sapiens)	Found in blood serum (BTO:0000133 blood serum). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	2-{2-[5-(ethoxycarbonyl)-2-morpholinoanilino]-2-oxoethoxy}acetic acid (CHEBI:167734) is a amidobenzoic acid (CHEBI:48470)

IUPAC Name

2-[2-(5-ethoxycarbonyl-2-morpholin-4-ylanilino)-2-oxoethoxy]acetic acid