TL;DR: 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid (CAS 101555-60-6) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
Also Known As: 1-Boc-2-pyrrolidineacetic acid, Boc-L-beta-homoproline, 2-(1-(tert-butoxycarbonyl)pyrrolidin-2-yl)acetic acid, boc-d-beta-homoproline, Boc-beta-homoproline
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.13141 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.13141 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| SMILES | CC(C)(C)OC(=O)N1CCCC1CC(=O)O |
| InChIKey | GDWKIRLZWQQMIE-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid. Following Lipinski's Rule of Five, 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid is 101555-60-6.
The molecular formula of 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid is C11H19NO4.
The molecular weight of 2-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acid is 229.13141 g/mol.
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