Structure Information
Structure

Compound Identification

SMILES

CC1=C(NCCC(O)=O)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=UBAHCNIOWROIEP-UHFFFAOYSA-N

Formula

C10H12N2O4

Mass

224.216

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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 - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Amino acid - C-nitro compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - 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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