TL;DR: 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid (CAS 1240585-32-3) is a chemical compound with molecular formula C12H20N2O5 and molecular weight 272.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
Also Known As: starbld0042344, (3S)-4-BOC-1-CARBOXYMETHYL-3-METHYL-PIPERAZIN-2-ONE, 2-[4-(TERT-BUTOXYCARBONYL)-3-METHYL-2-OXO-1-PIPERAZINYL]ACETIC ACID, 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid, 2-(4-(TERT-BUTOXYCARBONYL)-3-METHYL-2-OXOPIPERAZIN-1-YL)ACETIC ACID
| Molecular Formula | C12H20N2O5 |
| Molecular Weight | 272.1372 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1372 Da |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
| SMILES | CC1C(=O)N(CCN1C(=O)OC(C)(C)C)CC(=O)O |
| InChIKey | NZZLOAJFJXIMGK-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid. Following Lipinski's Rule of Five, 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid 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 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid is 1240585-32-3.
The molecular formula of 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid is C12H20N2O5.
The molecular weight of 2-[4-(Tert-butoxycarbonyl)-3-methyl-2-oxo-1-piperazinyl]acetic acid is 272.1372 g/mol.
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