Compound Identification
SMILES
NC(N)=NC(=O)C[C@@H]1N(CCC(F)(F)F)C(=O)C2=CC(F)=C(F)C=C12
InChIKey
InChIKey=ABRGCXMUFPRGHC-JTQLQIEISA-N
Formula
C14H13F5N4O2
Mass
364.276
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Isoindolones Isoindoles Acylguanidines Aryl fluorides Benzenoids Tertiary carboxylic acid amides Lactams N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Acylguanidine - Aryl fluoride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Lactam - N-acylimine - Carboxamide group - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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