Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=C(C[NH+](C)CC([O-])=O)C=C1

InChIKey

InChIKey=IHTFYYXGHNXYOA-UHFFFAOYSA-N

Formula

C12H18N2O2

Mass

222.288

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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 - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - 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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