TL;DR: 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)- (CAS 125410-17-5) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,6S)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
Also Known As: CYCLO(-D-ALA-VAL), Cyclo(D-Ala-Val), cyclo-Leu-Val, 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)-, (3R,6S)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
| Molecular Formula | C8H14N2O2 |
| Molecular Weight | 170.10553 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.10553 Da |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
| SMILES | C[C@@H]1C(=O)N[C@H](C(=O)N1)C(C)C |
| InChIKey | ORLDMMKUTCCBSM-RITPCOANSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)-. With a topological polar surface area (TPSA) of 58.2 Ų, 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)- is 125410-17-5.
The molecular formula of 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)- is C8H14N2O2.
The molecular weight of 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)- is 170.10553 g/mol.
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