Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(NC(=O)CCN2CCOCC2)C=C2C(=C1)N=CC(C#N)=C2NC1=CC(Cl)=C(F)C=C1

InChIKey

InChIKey=ABNJTLJOBGFVGE-UHFFFAOYSA-N

Formula

C25H25ClFN5O3

Mass

497.96

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

4-aminoquinoline - Aminoquinoline - Beta amino acid or derivatives - Quinoline - Phenol ether - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - Aminopyridine - Halobenzene - Fluorobenzene - Chlorobenzene - Oxazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Morpholine - Aryl fluoride - Pyridine - Primary aromatic amine - Aryl chloride - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Nitrile - Carbonitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Cyanide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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

Previous Back Next