TL;DR: 3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid (CAS 142082-92-6) is a chemical compound with molecular formula C12H21NO5 and molecular weight 259.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
Also Known As: 3-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid, 3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic Acid
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.14197 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.14197 Da |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
| SMILES | CC(C)(C)OC(=O)N1CCCC1C(CC(=O)O)O |
| InChIKey | AVIQHXVOLKJNBI-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid. Following Lipinski's Rule of Five, 3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic 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-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid is 142082-92-6.
The molecular formula of 3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid is C12H21NO5.
The molecular weight of 3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-3-hydroxypropanoic acid is 259.14197 g/mol.
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