Structure Information
Structure

Compound Identification

SMILES

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccccc1Cl

InChIKey

InChIKey=OJNCDAFVKCNDBJ-XQQFMLRXSA-N

Formula

C15H17ClFN3O

Mass

309.77

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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 - Amphetamine or derivatives - N-acylpyrrolidine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Primary amine - Organohalogen compound - Organochloride - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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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