Compound Identification
SMILES
COC1=CC=CC(C=CC(=O)NCC([O-])=O)=C1OC
InChIKey
InChIKey=MEZWZJVDRUKPMR-UHFFFAOYSA-M
Formula
C13H14NO5
Mass
264.258
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
Cinnamic acid amides Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Cinnamic acid amide - Cinnamic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic anion - 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