Compound Identification
SMILES
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(Cl)cc1Cl
InChIKey
InChIKey=ONRMYFPPPIJZIS-XQQFMLRXSA-N
Formula
C15H16Cl2FN3O
Mass
344.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 N-acylpyrrolidines Dichlorobenzenes Aralkylamines Aryl chlorides Tertiary carboxylic acid amides Azacyclic compounds Nitriles Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - 1,3-dichlorobenzene - N-acylpyrrolidine - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organofluoride - Amine - Alkyl halide - Primary aliphatic amine - Alkyl fluoride - Organooxygen compound - Primary amine - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - 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