Compound Identification
SMILES
COC(=O)CC(CN)C1=CNC2=C1C=CC(Cl)=C2
InChIKey
InChIKey=JCUDXCCEQYQMCY-UHFFFAOYSA-N
Formula
C13H15ClN2O2
Mass
266.73
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
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic 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
Gamma amino acids and derivatives
Alternative Parents
3-alkylindoles Fatty acid methyl esters Aralkylamines Substituted pyrroles Benzenoids Aryl chlorides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gamma amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Fatty acid methyl ester - Aralkylamine - Aryl chloride - Benzenoid - Substituted pyrrole - Fatty acyl - Aryl halide - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors
Not available