Compound Identification
SMILES
[O-]C(=O)C1CN(CCC2=CC=CC=C2)C(=O)C1
InChIKey
InChIKey=WXPXDXDHJYRETJ-UHFFFAOYSA-M
Formula
C13H14NO3
Mass
232.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
-
Subclass
Pyrrolidine carboxylic acids and derivatives
- Level 5 Pyrrolidine carboxylic acids
-
Subclass
Pyrrolidine carboxylic acids and derivatives
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrolidine carboxylic acid - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available