ClassyFire

Compound Identification

SMILES

CC(C)(C)OC(=O)OC(=O)[C@@](C)(CN)C1=CC=CC=C1

InChIKey

InChIKey=XFMNNUJXBLXFNE-HNNXBMFYSA-N

Formula

C15H21NO4

Mass

279.336

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level 5 Amino acids and derivatives
        
        Level 6 Beta amino acids and derivatives

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

Aralkylamines Benzene and substituted derivatives Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carbonic acid derivative - Monocarboxylic acid or derivatives - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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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