| Canonical Smiles | C(C(C(=O)O)N)C(=O)[O-].[K+] |
|---|---|
| IUPAC Name | potassium;3-amino-4-hydroxy-4-oxobutanoate |
| InChIKey | TXXVQZSTAVIHFD-UHFFFAOYSA-M |
| INCHI | 1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1 |
| Isomeric SMILES | C(C(C(=O)O)N)C(=O)[O-].[K+] |
| PubChem CID | 23676146 |
| Molecular Weight | 171.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| 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 |
| Direct Parent | Aspartic acid and derivatives |
| Alternative Parents | Alpha amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Carboxylic acid salts Amino acids Carboxylic acids Organopnictogen compounds Organic zwitterions Organic potassium salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Aspartic acid or derivatives - Alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Carboxylic acid salt - Amino acid - Carboxylic acid - Organic alkali metal salt - Organic nitrogen compound - Organic potassium salt - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 171.190 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 170.993 Da |
| Monoisotopic Mass | 170.993 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
