TL;DR: 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- (CAS 15761-39-4) is a chemical compound with molecular formula C10H17NO4 and molecular weight 215.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: Boc-L-proline, Boc-Pro-OH, N-Boc-L-proline, N-(tert-Butoxycarbonyl)-L-proline, Boc-L-Pro-OH
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.11575 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.11575 Da |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O |
| InChIKey | ZQEBQGAAWMOMAI-ZETCQYMHSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-. Following Lipinski's Rule of Five, 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- 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 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- is 15761-39-4.
The molecular formula of 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- is C10H17NO4.
The molecular weight of 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- is 215.11575 g/mol.
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