Compound Identification
SMILES
C[C@](N)(Cc1cccc(c1)C(O)=O)C(O)=O
InChIKey
InChIKey=AORMNQRMXYXXJK-NSHDSACASA-N
Formula
C11H13NO4
Mass
223.228
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
D-alpha-amino acids Amphetamines and derivatives Phenylpropanes Benzoic acids Benzoyl derivatives Aralkylamines Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - D-alpha-amino acid - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Primary amine - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available