N-(3-acetyl-6-methyl-2-oxo-2H-pyran-4-yl)-beta-alanine
Chemical Structure Depiction of
N-(3-acetyl-6-methyl-2-oxo-2H-pyran-4-yl)-beta-alanine
N-(3-acetyl-6-methyl-2-oxo-2H-pyran-4-yl)-beta-alanine
Compound characteristics
| Compound ID: | 8016-3545 |
| Compound Name: | N-(3-acetyl-6-methyl-2-oxo-2H-pyran-4-yl)-beta-alanine |
| Molecular Weight: | 239.22 |
| Molecular Formula: | C11 H13 N O5 |
| Smiles: | CC1=CC(=C(C(C)=O)C(=O)O1)NCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6632 |
| logD: | -3.3589 |
| logSw: | -0.4794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.332 |
| InChI Key: | LDCZMQLCTOUZLW-UHFFFAOYSA-N |