Compound Identification
SMILES
COC1=CC(C(=O)CC(NC(C)=O)C(O)=O)=C(N)C=C1
InChIKey
InChIKey=MJMNDHBFYSMDIG-UHFFFAOYSA-N
Formula
C13H16N2O5
Mass
280.28
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
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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 Butyrophenones Aminophenyl ethers Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Vinylogous amides Acetamides Amino acids Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Alkyl-phenylketone - Butyrophenone - Methoxyaniline - Phenylketone - Aminophenyl ether - Anisole - Gamma-keto acid - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Methoxybenzene - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Keto acid - Vinylogous amide - Acetamide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Amino acid - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen 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