TL;DR: methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate (CAS 125031-46-1) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
Also Known As: J1.159.059D, methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate, METHYL 2-HYDROXY-5H,6H,7H-CYCLOPENTA[B]PYRIDINE-3-CARBOXYLATE, methyl 2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylate, Methyl 2-oxo-1H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylate
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.0739 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0739 Da |
| Heavy Atoms | 14 |
| Complexity | 366.0 |
| SMILES | COC(=O)C1=CC2=C(CCC2)NC1=O |
| InChIKey | BUXFOYXGVBMKTM-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate is 125031-46-1.
The molecular formula of methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate is C10H11NO3.
The molecular weight of methyl 2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate is 193.0739 g/mol.
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