Compound Identification
SMILES
[Cl-].NC(CC1=CC=C(O)C=C1)C1=NN=C(O1)C(CC(O)=O)NC(=O)C1CCNCC1
InChIKey
InChIKey=OQLWKCDZWAYBCI-UHFFFAOYSA-M
Formula
C19H25ClN5O5
Mass
438.89
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
Amphetamines and derivatives Piperidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids Aralkylamines 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic chloride salts Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Piperidinecarboxamide - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Monocyclic benzene moiety - Benzenoid - Piperidine - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic chloride salt - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organic anion - 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