Compound Identification
SMILES
C[N+](C)(C)CC(CC(O)=O)NC1=NC(OCCOC2=CC=C(Cl)C=C2)=CC(Cl)=N1
InChIKey
InChIKey=DNQWVULZDQXNHL-UHFFFAOYSA-O
Formula
C19H25Cl2N4O4
Mass
444.33
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
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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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Halopyrimidines Aryl chlorides Tetraalkylammonium salts Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Halopyrimidine - Chlorobenzene - Aryl chloride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tetraalkylammonium salt - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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