Compound Identification
SMILES
COC(=O)C(NC=C1C=CC(=O)C=C1)C(C)C
InChIKey
InChIKey=LLHRPYQVAFICFW-UHFFFAOYSA-N
Formula
C13H17NO3
Mass
235.283
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 acid esters
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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 acid esters
Alternative Parents
Valine and derivatives P-quinomethanes Fatty acid esters Methyl esters Monocarboxylic acids and derivatives Enamines Dialkylamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - P-quinomethane - Quinomethane - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Secondary aliphatic amine - Enamine - Allylamine - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available