Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)[C@@H](C(N)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=QRUPBKGRAKXQHT-VUWPPUDQSA-N

Formula

C14H18N2O6

Mass

310.306

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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 - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Aralkylamine - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Organic nitro compound - Amino acid - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Organic zwitterion - 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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