Diethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate (CHEBI:189248)

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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	Diethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate

ChEBI ID	CHEBI:189248

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H19NO7

Net Charge

Average Mass

289.284

Monoisotopic Mass

289.11615

InChI

InChI=1S/C12H19NO7/c1-4-18-9(15)7-8(14)13-10(11(16)19-5-2)12(17)20-6-3/h10H,4-7H2,1-3H3,(H,13,14)

InChIKey

PEEDQHGRWFGQDK-UHFFFAOYSA-N

SMILES

O(C(=O)C(NC(=O)CC(OCC)=O)C(OCC)=O)CC

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). 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	Diethyl [(3-ethoxy-3-oxopropanoyl)amino]malonate (CHEBI:189248) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name

diethyl 2-[(3-ethoxy-3-oxopropanoyl)amino]propanedioate