3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid
Chemical Structure Depiction of
3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid
3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid
Compound characteristics
| Compound ID: | K783-4438 |
| Compound Name: | 3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | Cc1ccc2c(c1)N(CCC(O)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3372 |
| logD: | -2.1696 |
| logSw: | -1.4444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.702 |
| InChI Key: | XKSZUYSGUJVOGX-UHFFFAOYSA-N |