TL;DR: [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid (CAS 2580233-28-7) 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.
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Also Known As: 1-Boc-4-piperidylacetic acid, 1-Boc-piperidin-4-ylacetic acid, boc-cmp-oh, 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)acetic acid, 1-Boc-4-piperidineacetic acid
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.14706 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.14706 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)O |
| InChIKey | ZXFLMSIMHISJFV-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid. Following Lipinski's Rule of Five, [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic 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-Butoxycarbonyl)piperidin-4-yl]acetic acid is 2580233-28-7.
The molecular formula of [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid is C12H21NO4.
The molecular weight of [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid is 243.14706 g/mol.
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