TL;DR: Boc-(S)-alpha-(2-furanylmethyl)-proline (CAS 1217622-28-0) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(furan-2-ylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: Boc-(S)-alpha-(2-furanylmethyl)-proline, (S)-1-(tert-Butoxycarbonyl)-2-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid, (2S)-2-(furan-2-ylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, N-t-Butoxycarbonyl-(S)-alpha-(2-furanylmethyl)-proline, (2S)-1-tert-butoxycarbonyl-2-(2-furfuryl)proline
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.14197 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.14197 Da |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=CO2)C(=O)O |
| InChIKey | QANFHNJFIHFCFK-HNNXBMFYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-(S)-alpha-(2-furanylmethyl)-proline. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(S)-alpha-(2-furanylmethyl)-proline. Following Lipinski's Rule of Five, Boc-(S)-alpha-(2-furanylmethyl)-proline has 1 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 Boc-(S)-alpha-(2-furanylmethyl)-proline is 1217622-28-0.
The molecular formula of Boc-(S)-alpha-(2-furanylmethyl)-proline is C15H21NO5.
The molecular weight of Boc-(S)-alpha-(2-furanylmethyl)-proline is 295.14197 g/mol.
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