Structure Information
Structure

Compound Identification

SMILES

CC(NC(=O)CC[NH+]1CCOCC1)C1COC2=CC=CC=C2O1

InChIKey

InChIKey=BKEBYDMLYSCRCH-UHFFFAOYSA-O

Formula

C17H25N2O4

Mass

321.396

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - Morpholine - Oxazinane - Para-dioxin - Benzenoid - Quaternary ammonium salt - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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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