Compound Identification
SMILES
N[C@@H](CC(N)=O)C1=NC(CC2=CC=C(C=C2)C(F)(F)F)=NO1
InChIKey
InChIKey=PVYKWSNQRCFEIG-VIFPVBQESA-N
Formula
C13H13F3N4O2
Mass
314.268
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
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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 Aralkylamines Fatty amides Heteroaromatic compounds 1,2,4-oxadiazoles Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Heteroaromatic compound - Azole - 1,2,4-oxadiazole - Oxadiazole - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Oxacycle - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl fluoride - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Aromatic heteromonocyclic 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