methyl N-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-L-valinate
Chemical Structure Depiction of
methyl N-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-L-valinate
methyl N-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-L-valinate
Compound characteristics
| Compound ID: | Y042-7890 |
| Compound Name: | methyl N-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-L-valinate |
| Molecular Weight: | 308.33 |
| Molecular Formula: | C15 H20 N2 O5 |
| Smiles: | CC(C)[C@@H](C(=O)OC)NC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9118 |
| logD: | 1.9118 |
| logSw: | -2.4918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.099 |
| InChI Key: | NWTTXUSSZUWPFL-ZDUSSCGKSA-N |