N-(3,4,5-trimethoxybenzoyl)-beta-alanine
Chemical Structure Depiction of
N-(3,4,5-trimethoxybenzoyl)-beta-alanine
N-(3,4,5-trimethoxybenzoyl)-beta-alanine
Compound characteristics
| Compound ID: | 0199-0053 |
| Compound Name: | N-(3,4,5-trimethoxybenzoyl)-beta-alanine |
| Molecular Weight: | 283.28 |
| Molecular Formula: | C13 H17 N O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0715 |
| logD: | -2.7672 |
| logSw: | -1.2076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.127 |
| InChI Key: | WAPZOAOEQDVGAF-UHFFFAOYSA-N |