Compound Identification
SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=CQKCOCCMCKOQGU-KCJUWKMLSA-N
Formula
C13H14BrNO4
Mass
328.162
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
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha 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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid esters Proline and derivatives 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives N-acylpyrrolidines Pyrrolidine carboxylic acids Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Methyl esters Vinylogous halides Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha-amino acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Vinylogous halide - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Secondary alcohol - Carboxylic acid ester - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available