Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCNC1=CC=CC2=C1C=CC=C2Br

InChIKey

InChIKey=GQBLVZNHZXXGAT-UHFFFAOYSA-N

Formula

C13H12BrNO2

Mass

294.148

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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 homopolycyclic compounds

Substituents

Beta amino acid or derivatives - Naphthalene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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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