HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2S)-2-Acetamido-5-ethoxy-5-oxopentanoate
Identifiers & Physical Properties
| CAS No. | 1069-69-8 |
|---|---|
| Molecular formula | C9H14NO5- |
| Average molar mass | 216.21 g/mol |
| Monoisotopic mass | 216.08719755 g/mol |
| SMILES | CCOC(=O)CC[C@H](NC(C)=O)C(=O)[O-] |
| InChIKey | ZVRKBFMAKKDMCL-ZETCQYMHSA-M |
| PubChem CID | 39733503 |
| DTXSID | DTXSID00653792 |
Chemical & Physical Properties
| XLogP | -0.5 |
|---|---|
| Topological polar surface area | 95.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 15 |
| Formal charge | -1 |
| Complexity | 245 |