Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(C[N+](C)(CC(O)=O)CC(O)=O)C=C1

InChIKey

InChIKey=KZYKHOFDIIIQCX-UHFFFAOYSA-O

Formula

C14H20NO4

Mass

266.316

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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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids

Direct Parent

N-benzylalanines

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-benzylalanine - Alpha-amino acid - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.

External Descriptors

Not available

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