TL;DR: (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid (CAS 134997-43-6) is a chemical compound with molecular formula C13H22N2O5 and molecular weight 286.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-ylbutanoic acid
Also Known As: A1-67471, (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoic acid, (S)-2-((tert-Butoxycarbonyl)amino)-4-oxo-4-(pyrrolidin-1-yl)butanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-yl-butanoic Acid
| Molecular Formula | C13H22N2O5 |
| Molecular Weight | 286.15286 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.15286 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)O |
| InChIKey | JSBQGPFBEMYONN-VIFPVBQESA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid. Following Lipinski's Rule of Five, (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid 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 (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid is 134997-43-6.
The molecular formula of (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid is C13H22N2O5.
The molecular weight of (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-(pyrrolidin-1-yl)butanoicacid is 286.15286 g/mol.
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