Compound Identification
SMILES
COc1ccc(C[C@@H](N)CC(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
InChIKey
InChIKey=QZMWIHMQGILUBZ-MJBXVCDLSA-N
Formula
C16H20FN3O2
Mass
305.353
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 Phenoxy compounds Anisoles Methoxybenzenes N-acylpyrrolidines Alkyl aryl ethers Aralkylamines Tertiary carboxylic acid amides Azacyclic compounds Nitriles Monoalkylamines Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Anisole - Methoxybenzene - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Alkyl halide - Primary aliphatic amine - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - 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