TL;DR: 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline (CAS 146621-94-5) is a chemical compound with molecular formula C18H30N2O5 and molecular weight 354.21548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2R)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
Also Known As: 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline, (2R)-2-Cyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-proline, 1-{(2R)-2-[(tert-Butoxycarbonyl)amino]-2-cyclohexylacetyl}-L-proline, L-Proline, (2R)-2-cyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]glycyl-
| Molecular Formula | C18H30N2O5 |
| Molecular Weight | 354.21548 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.21548 Da |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | GXJFWLZSFRQBML-UONOGXRCSA-N |
The XLogP value of 3.0 indicates that 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline. Following Lipinski's Rule of Five, 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline 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 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline is 146621-94-5.
The molecular formula of 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline is C18H30N2O5.
The molecular weight of 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-L-proline is 354.21548 g/mol.
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