Structure Information
Structure

Compound Identification

SMILES

COCC(=O)N1CCNC(CC(=O)NCC2=CC=C(Cl)C=C2)C1

InChIKey

InChIKey=PAAUYYMUXBPKAT-UHFFFAOYSA-N

Formula

C16H22ClN3O3

Mass

339.82

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Azacycle - Dialkyl ether - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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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