TL;DR: methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate (CAS 1173681-24-7) is a chemical compound with molecular formula C13H23N3O4S and molecular weight 317.14093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(4-carbamoylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoate
Also Known As: methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate, (S)-methyl 2-(4-carbamoylpiperidine-1-carboxamido)-4-(methylthio)butanoate, methyl (2S)-2-[(4-carbamoylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoate
| Molecular Formula | C13H23N3O4S |
| Molecular Weight | 317.14093 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.14093 Da |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CCC(CC1)C(=O)N |
| InChIKey | ILCKWPDSYQLTFZ-JTQLQIEISA-N |
The XLogP value of -0.1 indicates that methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate. Following Lipinski's Rule of Five, methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate has 2 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 methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate is 1173681-24-7.
The molecular formula of methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate is C13H23N3O4S.
The molecular weight of methyl N-[(4-carbamoylpiperidin-1-yl)carbonyl]-L-methioninate is 317.14093 g/mol.
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