HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
(2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate · Cyclopropanecarboxylic acid, 1-[[[(2S,4R)-1-[(1,1-dimethylethoxy)carbonyl]-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)-

Identifiers & Physical Properties
| CAS No. | 862119-82-2 |
|---|---|
| Molecular formula | C18H28N2O6 |
| Average molar mass | 368.4 g/mol |
| Monoisotopic mass | 368.19473662 g/mol |
| SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OCC |
| InChIKey | CFFYVGARHCEYLI-ZIVKBKJYSA-N |
| PubChem CID | 57892908 |
| EC No. | 617-815-8 |
| DTXSID | DTXSID501102107 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 105 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 8 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 599 |
| Boiling point | 527.9±50.0 °C(Predicted) |
| Density | 1.22±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.84±0.40(Predicted) |