methyl N-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}-beta-alaninate
methyl N-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y043-5316 |
| Compound Name: | methyl N-{5-[(3S)-1,2-dithiolan-3-yl]pentanoyl}-beta-alaninate |
| Molecular Weight: | 291.43 |
| Molecular Formula: | C12 H21 N O3 S2 |
| Smiles: | COC(CCNC(CCCC[C@H]1CCSS1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3372 |
| logD: | 1.3372 |
| logSw: | -1.5965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.688 |
| InChI Key: | KIEKMHCOYAJKCC-JTQLQIEISA-N |