Structure Information
Structure

Compound Identification

SMILES

CNC1=CC=C(C=C1)C(=O)NC(CC(O)=O)CC(O)=O

InChIKey

InChIKey=OQXDSBHZNNKHNO-UHFFFAOYSA-N

Formula

C13H16N2O5

Mass

280.28

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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