TL;DR: 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid (CAS 103336-06-7) 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-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: 1-Boc-2-methyl-DL-proline, 1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid, Boc-, A-Me-DL-Pro-OH, Boc-2-methyl-DL-proline
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.13141 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.13141 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CC1(CCCN1C(=O)OC(C)(C)C)C(=O)O |
| InChIKey | YQXRKJHVAUKXRN-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic 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 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid is 103336-06-7.
The molecular formula of 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid is C11H19NO4.
The molecular weight of 1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid is 229.13141 g/mol.
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