Compound Identification
SMILES
[H+].[Cl-].CC1CN(CCC(=O)NC2=CC3=C(OCO3)C=C2)CC(C)O1
InChIKey
InChIKey=AUWQBCNZYJYXOH-UHFFFAOYSA-N
Formula
C16H23ClN2O4
Mass
342.82
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
Benzodioxoles N-arylamides Benzenoids Morpholines Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Hydrochlorides Carbonyl compounds Organic chloride salts Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - N-arylamide - Morpholine - Oxazinane - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Acetal - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic chloride salt - Hydrochloride - Organic zwitterion - Carbonyl group - Organic salt - 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