N-(3,5-dimethoxybenzoyl)-beta-alanine
Chemical Structure Depiction of
N-(3,5-dimethoxybenzoyl)-beta-alanine
N-(3,5-dimethoxybenzoyl)-beta-alanine
Compound characteristics
| Compound ID: | Y031-6652 |
| Compound Name: | N-(3,5-dimethoxybenzoyl)-beta-alanine |
| Molecular Weight: | 253.25 |
| Molecular Formula: | C12 H15 N O5 |
| Smiles: | COc1cc(cc(c1)OC)C(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4132 |
| logD: | -2.2825 |
| logSw: | -1.3888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.236 |
| InChI Key: | DULWJNHGZTTXMI-UHFFFAOYSA-N |