Compound Identification
SMILES
OCCN1CCN(CCC(=O)NC2=CC(Br)=CC=C2)CC1
InChIKey
InChIKey=UDMXGQXFCFWIJK-UHFFFAOYSA-N
Formula
C15H22BrN3O2
Mass
356.264
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
Anilides N-arylamides N-alkylpiperazines Bromobenzenes Aryl bromides Trialkylamines Secondary carboxylic acid amides 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Anilide - N-arylamide - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - 1,2-aminoalcohol - Tertiary aliphatic amine - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Alkanolamine - Azacycle - Organic oxide - Organopnictogen compound - Amine - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organobromide - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - 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