Compound Identification
SMILES
CC(C)(C)OC(=O)[C@H]1CCC[C@]1(C[NH3+])C([O-])=O
InChIKey
InChIKey=PAWHSJGUJGHPOF-PRHODGIISA-N
Formula
C12H21NO4
Mass
243.303
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
-
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
Dicarboxylic acids and derivatives Quaternary ammonium salts Carboxylic acid salts Carboxylic acid esters Amino acids Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Amino acid - Carboxylic acid - Amine - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic 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