Compound Identification
SMILES
[Cl-].OCCCC1=CC=[N+](C=C1)C(=O)C1CNCCO1
InChIKey
InChIKey=ABKNSSSQNATKAE-UHFFFAOYSA-M
Formula
C13H19ClN2O3
Mass
286.76
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
Morpholine carboxylic acids and derivatives Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Morpholine-2-carboxylic acid or derivatives - Morpholine - Oxazinane - Pyridine - Pyridinium - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Secondary amine - Ether - Organopnictogen compound - Organic oxide - Primary alcohol - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - 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