Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC(C(O)C([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=BYHTXLVGJCGODN-UHFFFAOYSA-M

Formula

C11H12NO4

Mass

222.221

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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 - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Acetamide - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic anion - 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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