Structure Information
Structure

Compound Identification

SMILES

CC(NC(=O)C1=CC=CC=C1)C(C(O)C1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=PCKIPHFUIYVMAW-UHFFFAOYSA-N

Formula

C18H19NO4

Mass

313.353

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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 - 3-phenylpropanoic-acid - Benzamide - Benzoic acid or derivatives - Benzoyl - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - 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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