ethyl N-[(2S,4S)-4-[(pyridin-3-yl)oxy]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2S,4S)-4-[(pyridin-3-yl)oxy]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-beta-alaninate
ethyl N-[(2S,4S)-4-[(pyridin-3-yl)oxy]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S721-0910 |
| Compound Name: | ethyl N-[(2S,4S)-4-[(pyridin-3-yl)oxy]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 404.46 |
| Molecular Formula: | C20 H28 N4 O5 |
| Smiles: | CCOC(CCNC(N1C[C@H](C[C@H]1C(N1CCCC1)=O)Oc1cccnc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1116 |
| logD: | 1.0994 |
| logSw: | -1.1967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.089 |
| InChI Key: | QQMXXYOUPACIED-SJORKVTESA-N |