TL;DR: BOC-Val-Ala-OMe (CAS 15275-65-7) is a chemical compound with molecular formula C14H26N2O5 and molecular weight 302.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
Also Known As: BOC-Val-Ala-OMe, methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate, Methyl (S)-2-[(S)-2-(Boc-amino)-3-methylbutanamido]propanoate, L-Alanine, N-[N-[(1,1-dimethylethoxy)carbonyl]-L-valyl]-, methyl ester, methyl 2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoate
| Molecular Formula | C14H26N2O5 |
| Molecular Weight | 302.18417 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.18417 Da |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
| SMILES | CC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)OC(C)(C)C |
| InChIKey | GNOSSFVOMTYCFF-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BOC-Val-Ala-OMe. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BOC-Val-Ala-OMe. Following Lipinski's Rule of Five, BOC-Val-Ala-OMe has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BOC-Val-Ala-OMe is 15275-65-7.
The molecular formula of BOC-Val-Ala-OMe is C14H26N2O5.
The molecular weight of BOC-Val-Ala-OMe is 302.18417 g/mol.
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