N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]-beta-alanine
Chemical Structure Depiction of
N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]-beta-alanine
N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]-beta-alanine
Compound characteristics
| Compound ID: | 8016-3989 |
| Compound Name: | N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]-beta-alanine |
| Molecular Weight: | 281.33 |
| Molecular Formula: | C13 H15 N O4 S |
| Smiles: | CC(C)(C#Cc1ccc(C(NCCC(O)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 1.2511 |
| logD: | -1.4446 |
| logSw: | -1.9143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.354 |
| InChI Key: | HVPQHGKOHCKROL-UHFFFAOYSA-N |