Compound Identification
SMILES
CCOC(=O)CCNC(=O)C1=C(O)C=C(C=C1)N=[N+]=[N-]
InChIKey
InChIKey=MRCCDMYIUHKSKW-UHFFFAOYSA-N
Formula
C12H14N4O4
Mass
278.268
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
Salicylamides Benzamides Phenylazides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Azo compounds Azo imides Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Salicylamide - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenylazide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Secondary carboxylic acid amide - Azo compound - Carboxamide group - Carboxylic acid ester - Azo imide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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