Compound Identification
SMILES
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1ccc(I)cc1
InChIKey
InChIKey=FWANBQMVYZYPCT-YUTCNCBUSA-N
Formula
C15H17FIN3O
Mass
401.224
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 N-acylpyrrolidines Aralkylamines Iodobenzenes Aryl iodides Tertiary carboxylic acid amides Azacyclic compounds Nitriles Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organoiodides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Halobenzene - Iodobenzene - Aralkylamine - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Primary amine - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organoiodide - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - 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