N-[4-(methoxycarbonyl)-2-nitrophenyl]-beta-alanine
Chemical Structure Depiction of
N-[4-(methoxycarbonyl)-2-nitrophenyl]-beta-alanine
N-[4-(methoxycarbonyl)-2-nitrophenyl]-beta-alanine
Compound characteristics
| Compound ID: | K784-1936 |
| Compound Name: | N-[4-(methoxycarbonyl)-2-nitrophenyl]-beta-alanine |
| Molecular Weight: | 268.22 |
| Molecular Formula: | C11 H12 N2 O6 |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1022 |
| logD: | -1.5677 |
| logSw: | -2.045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.526 |
| InChI Key: | DRPJJWSTFQFHKU-UHFFFAOYSA-N |