N-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-beta-alanine
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-beta-alanine
N-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-beta-alanine
Compound characteristics
| Compound ID: | Y041-4857 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-beta-alanine |
| Molecular Weight: | 251.24 |
| Molecular Formula: | C12 H13 N O5 |
| Smiles: | C(CNC(C1COc2ccccc2O1)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1043 |
| logD: | -2.5914 |
| logSw: | -1.5756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.586 |
| InChI Key: | DPPKCPYLLOEXCY-JTQLQIEISA-N |