Compound Identification
SMILES
COc1ccc2CN(C[C@](\C=C\C)(C#C)C(=O)NC(C)=O)C3(CC3)c2c1
InChIKey
InChIKey=WJCPOZWFKDROKZ-MVHVFESUSA-N
Formula
C21H24N2O3
Mass
352.434
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
-
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
Isoindolines Isoindoles Anisoles Aralkylamines Alkyl aryl ethers N-acyl amines N-unsubstituted carboxylic acid imides Dicarboximides Acetamides Trialkylamines Azacyclic compounds Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Isoindoline - Isoindole - Isoindole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-acyl-amine - Benzenoid - Carboxylic acid imide - Dicarboximide - Acetamide - Carboxylic acid imide, n-unsubstituted - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Acetylide - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic 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