TL;DR: (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid (CAS 156881-63-9) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Also Known As: Boc-L-Cyclopentylglycine, (S)-2-((tert-Butoxycarbonyl)amino)-2-cyclopentylacetic acid, Boc-Cpg-OH, Boc-Gly(cPent)-OH, Boc-D-Cyclopentylglycine
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.14706 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.14706 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](C1CCCC1)C(=O)O |
| InChIKey | WBSJQVRMQOLSAT-VIFPVBQESA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid. Following Lipinski's Rule of Five, (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid has 2 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 (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid is 156881-63-9.
The molecular formula of (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid is C12H21NO4.
The molecular weight of (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid is 243.14706 g/mol.
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