Structure Information
Structure

Compound Identification

SMILES

CC(OCCO)C1(NC2=CC=CC(=C2)C(F)(F)F)C=CC=CC1C(O)=O

InChIKey

InChIKey=ZITOTZJMNFPEBG-UHFFFAOYSA-N

Formula

C18H20F3NO4

Mass

371.356

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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 - Trifluoromethylbenzene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Dialkyl ether - Secondary amine - Ether - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - 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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