TL;DR: N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine (CAS 1173674-53-7) is a chemical compound with molecular formula C18H21N3O6 and molecular weight 375.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]-3-methylbutanoic acid
Also Known As: N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine, (2S)-2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]-3-methylbutanoic acid, (S)-2-(3-(5-(furan-2-carboxamido)-2-methoxyphenyl)ureido)-3-methylbutanoic acid, 2-[[5-(furan-2-carbonylamino)-2-methoxy-phenyl]carbamoylamino]-3-methyl-butanoic Acid
| Molecular Formula | C18H21N3O6 |
| Molecular Weight | 375.14304 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.14304 Da |
| Heavy Atoms | 27 |
| Complexity | 541.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)OC |
| InChIKey | KAEMMQAXRFDJRK-HNNXBMFYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine. Following Lipinski's Rule of Five, N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine is 1173674-53-7.
The molecular formula of N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine is C18H21N3O6.
The molecular weight of N-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-valine is 375.14304 g/mol.
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