Compound Identification
SMILES
CC(=O)NC(CCC(=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=HYMHQWHWVZXOKO-UHFFFAOYSA-N
Formula
C13H15NO4
Mass
249.266
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
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alkyl-phenylketones Phenylbutylamines Butyrophenones Medium-chain fatty acids Benzoyl derivatives Aryl alkyl ketones Amino fatty acids Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-alpha-amino acid - Butyrophenone - Phenylbutylamine - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Medium-chain fatty acid - Amino fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Acetamide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available