Compound Identification
SMILES
NNCC1=CC=CC=C1.OC(CC([O-])=O)C([O-])=O
InChIKey
InChIKey=GWIZBINGTDBCHJ-UHFFFAOYSA-L
Formula
C11H14N2O5
Mass
254.243
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
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Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Beta hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Short-chain hydroxy acids and derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives Benzene and substituted derivatives Secondary alcohols Carboxylic acid salts Carboxylic acids Alkylhydrazines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Short-chain hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Alkylhydrazine - Carboxylic acid - Organonitrogen compound - Hydrazine derivative - Organic oxide - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available