4-({N-[4-(2-methylpropoxy)benzoyl]-beta-alanyl}amino)butanoic acid
Chemical Structure Depiction of
4-({N-[4-(2-methylpropoxy)benzoyl]-beta-alanyl}amino)butanoic acid
4-({N-[4-(2-methylpropoxy)benzoyl]-beta-alanyl}amino)butanoic acid
Compound characteristics
| Compound ID: | Y500-0589 |
| Compound Name: | 4-({N-[4-(2-methylpropoxy)benzoyl]-beta-alanyl}amino)butanoic acid |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C18 H26 N2 O5 |
| Smiles: | CC(C)COc1ccc(cc1)C(NCCC(NCCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7778 |
| logD: | -2.0431 |
| logSw: | -1.8458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.961 |
| InChI Key: | RDRQLSXDIKWLQP-UHFFFAOYSA-N |