Compound Identification
SMILES
COC(=O)C(F)(F)[C@H](CC1=CC=CC=C1)NC(C)=O
InChIKey
InChIKey=FCBGRBIIOITPOW-NSHDSACASA-N
Formula
C13H15F2NO3
Mass
271.264
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
Amphetamines and derivatives Fatty acid esters Methyl esters Alpha-halocarboxylic acid derivatives Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Acetamide - Methyl ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic 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