TL;DR: 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid (CAS 1217811-51-2) is a chemical compound with molecular formula C11H21NO4S and molecular weight 263.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoic acid
Also Known As: Boc-beta-HoMet-OH, Boc-L-beta-homomethionine, Boc-beta-Homomet-OH, Boc-, A-Homomet-OH
| Molecular Formula | C11H21NO4S |
| Molecular Weight | 263.11914 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 263.11914 Da |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| SMILES | CC(C)(C)OC(=O)NC(CCSC)CC(=O)O |
| InChIKey | HBFKPNZCUUZRLA-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid. Following Lipinski's Rule of Five, 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid 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 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid is 1217811-51-2.
The molecular formula of 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid is C11H21NO4S.
The molecular weight of 3-{[(Tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid is 263.11914 g/mol.
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