Compound Identification
SMILES
OC1=C(C=CC(NC(=O)C2CNC3=CC=CC=C3O2)=C1)C(F)(F)F
InChIKey
InChIKey=JGFWBQRLPMNHHA-UHFFFAOYSA-N
Formula
C16H13F3N2O3
Mass
338.286
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 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Benzoxazines Benzomorpholines Anilides N-arylamides Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzomorpholine - Benzoxazine - Trifluoromethylbenzene - Anilide - N-arylamide - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Oxazinane - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available