TL;DR: methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate (CAS 159086-00-7) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate
Also Known As: N-((4E)-5-(2-Furanyl)-3-oxo-4-pentenyl)-L-leucine methyl ester, L-Leucine, N-((4E)-5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester, L-Leucine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester, (E)-, L-Leucine,N-[(4E)-5-(2-furanyl)-3-oxo-4-penten-1-yl]-, methyl ester
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.16272 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 293.16272 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NCCC(=O)C=CC1=CC=CO1 |
| InChIKey | PKGFGZCXWHOIMD-HNNXBMFYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate. Following Lipinski's Rule of Five, methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate 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 methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate is 159086-00-7.
The molecular formula of methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate is C16H23NO4.
The molecular weight of methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate is 293.16272 g/mol.
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