Compound Identification
SMILES
COC(=O)[C@@H]1CCC(N1)=C(C#N)C1=N[C@@H](CC1)C(=O)OC
InChIKey
InChIKey=HEMMGWQVSFWCAQ-RYUDHWBXSA-N
Formula
C14H17N3O4
Mass
291.307
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
Proline and derivatives Pyrroline carboxylic acids Pyrrolidine carboxylic acids Dicarboxylic acids and derivatives Methyl esters Ketimines Propargyl-type 1,3-dipolar organic compounds Nitriles Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Pyrrolidine - Methyl ester - Pyrroline - Carboxylic acid ester - Ketimine - Secondary aliphatic amine - Enamine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic oxide - Imine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic nitrogen compound - Aliphatic heteromonocyclic 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