Compound Identification
SMILES
NC1=NC(NCC(=O)OC(=O)C(F)(F)F)=CC(Cl)=N1
InChIKey
InChIKey=BXKNESDUSGNBNW-UHFFFAOYSA-N
Formula
C8H6ClF3N4O3
Mass
298.61
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
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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
Alpha amino acids and derivatives
Alternative Parents
Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Imidolactams Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carboxylic acid anhydrides Heteroaromatic compounds Azacyclic compounds Organic oxides Carbonyl compounds Alkyl fluorides Organochlorides Organofluorides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Aminopyrimidine - Halopyrimidine - Imidolactam - Pyrimidine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid anhydride - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available