TL;DR: l-Proline, N-(m-toluoyl)-, methyl ester (CAS 1354970-52-7) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-(3-methylbenzoyl)pyrrolidine-2-carboxylate
Also Known As: l-Proline, N-(m-toluoyl)-, methyl ester, methyl 1-(3-methylbenzoyl)pyrrolidine-2-carboxylate, methyl (2R)-1-(3-methylbenzoyl)pyrrolidine-2-carboxylate
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.12085 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCCC2C(=O)OC |
| InChIKey | QZCQSCWQKLPTLU-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for l-Proline, N-(m-toluoyl)-, methyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, l-Proline, N-(m-toluoyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, l-Proline, N-(m-toluoyl)-, methyl ester has 0 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 l-Proline, N-(m-toluoyl)-, methyl ester is 1354970-52-7.
The molecular formula of l-Proline, N-(m-toluoyl)-, methyl ester is C14H17NO3.
The molecular weight of l-Proline, N-(m-toluoyl)-, methyl ester is 247.12085 g/mol.
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