Betaine aspartate
Basic information
- CAS
52921-08-1- Standard SMILES
C[N+](C)(C)CC(=O)O.N[C@@H](CC(=O)O)C(=O)[O-]- InChIKey
GROIBJFMWIHJHX-WNQIDUERSA-N- Molecular formula
- C9H18N2O6
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.1164863
Names & identifiers
- Preferred name
- Betaine aspartate
- IUPAC
- (2S)-2-amino-4-hydroxy-4-oxobutanoate;carboxymethyl(trimethyl)azanium
Names & synonyms
Betaine aspartate52921-08-1Somathl (TN)EINECS 258-258-7(2S)-2-amino-4-hydroxy-4-oxobutanoate;carboxymethyl(trimethyl)azaniumD07524
Database identifiers
- CAS
52921-08-1- PubChem CID
- 104358
- EC Number
- 258-258-7
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…