Compound Identification
SMILES
[Cl-].O=C(CCNNC(=O)C1=CC=NC=C1)[NH2+]CC1=CC=CC=C1
InChIKey
InChIKey=XPLZAZCGEUUFJL-UHFFFAOYSA-N
Formula
C16H19ClN4O2
Mass
334.8
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
Pyridinecarboxylic acids and derivatives Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyridine carboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid hydrazide - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen 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