TL;DR: N-acetyl-D-valine (CAS 17916-88-0) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-methylbutanoic acid
Also Known As: N-Acetyl-D-valine, D-Valine, N-acetyl-, Acetyl-D-Valine, N-Acetylvaline, N-Acetylvaline #
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.08954 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.08954 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | CC(C)[C@H](C(=O)O)NC(=O)C |
| InChIKey | IHYJTAOFMMMOPX-ZCFIWIBFSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-D-valine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-D-valine. Following Lipinski's Rule of Five, N-acetyl-D-valine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-acetyl-D-valine is 17916-88-0.
The molecular formula of N-acetyl-D-valine is C7H13NO3.
The molecular weight of N-acetyl-D-valine is 159.08954 g/mol.
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