Structure Information
Structure

Compound Identification

SMILES

CCC1=CC(NC(=O)NC(C)C(=O)OC)=CC=C1

InChIKey

InChIKey=LAWDVDMZQQGTKI-UHFFFAOYSA-N

Formula

C13H18N2O3

Mass

250.298

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives - N-carbamoyl-alpha amino acids and derivatives

Direct Parent

N-carbamoyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - Alanine or derivatives - N-phenylurea - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Urea - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.

External Descriptors

Not available

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