Compound Identification
SMILES
OC(=O)CNC=C(C#N)C(=O)NCC1=CC=CC=C1
InChIKey
InChIKey=NPIGKANRNPXMSI-UHFFFAOYSA-N
Formula
C13H13N3O3
Mass
259.265
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 Alpha amino acids
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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
Direct Parent
Alpha amino acids
Alternative Parents
Benzene and substituted derivatives Vinylogous amides Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Enamines Dialkylamines Carboxylic acids Allylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Allylamine - Carboxylic acid - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Cyanide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available