5-Isoxazolidinecarboxylic acid, 2-ethoxy-4-methyl-, methyl ester, trans-
Basic information
- CAS
57413-16-8- Standard SMILES
CCON1C[C@@H](C)[C@H](C(=O)OC)O1- InChIKey
IISFYBLODHZYPU-RNFRBKRXSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.10010796
Names & identifiers
- Preferred name
- 5-Isoxazolidinecarboxylic acid, 2-ethoxy-4-methyl-, methyl ester, trans-
- IUPAC
- methyl (4R,5R)-2-ethoxy-4-methyl-1,2-oxazolidine-5-carboxylate
Names & synonyms
57413-16-8DTXSID104814675-Isoxazolidinecarboxylic acid, 2-ethoxy-4-methyl-, methyl ester, trans-methyl (4R,5R)-2-ethoxy-4-methyl-1,2-oxazolidine-5-carboxylate
Database identifiers
- CAS
57413-16-8- PubChem CID
- 12229751
- DTXSID
DTXSID10481467
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…