Compound Identification
SMILES
CC(=O)NC(CCC(=O)C1=C(F)C=C(F)C=C1)C(O)=O
InChIKey
InChIKey=JOXKSMPFAHDBJB-UHFFFAOYSA-N
Formula
C13H13F2NO4
Mass
285.247
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
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha 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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alkyl-phenylketones Phenylbutylamines Butyrophenones Aryl alkyl ketones Medium-chain fatty acids Benzoyl derivatives Halogenated fatty acids Fluorobenzenes Aryl fluorides Vinylogous halides Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-alpha-amino acid - Butyrophenone - Phenylbutylamine - Phenylketone - Benzoyl - Medium-chain fatty acid - Aryl ketone - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Halogenated fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Vinylogous halide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organooxygen compound - Organofluoride - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available