Compound Identification
SMILES
[Cl-].COC1=CC2=C(NC=C2CC[NH+]=CC(O)=O)C=C1
InChIKey
InChIKey=TWDBYLKRTAPEPS-UHFFFAOYSA-N
Formula
C13H15ClN2O3
Mass
282.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Alpha-imino acid and derivatives
- Level 5 Alpha-imino acids
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Subclass
Alpha-imino acid and derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Alpha-imino acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-imino acids
Alternative Parents
3-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Primary aldimines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic chloride salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Alpha-imino acid - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Shiff base - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Primary aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Azacycle - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic chloride salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-imino acids. These are organic acids containing an imino group attached to a carbon, which in turn is immediately linked to a carboxyl group. They have the generic structure RN=CC(=O)OH or RN=CC(=O)[O-] (salt form), where R is any atom.
External Descriptors
Not available