Compound Identification
SMILES
OCCC1CN(CCC(=O)NC2=CN=CC=C2)CCN1CC1CC1
InChIKey
InChIKey=LEOQFEQVQAMHGH-UHFFFAOYSA-N
Formula
C18H28N4O2
Mass
332.448
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
N-arylamides N-alkylpiperazines Pyridines and derivatives Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-arylamide - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridine - 1,3-aminoalcohol - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Amine - 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