TL;DR: N-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine (CAS 56242-82-1) is a chemical compound with molecular formula C19H23N3O5 and molecular weight 373.16376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(1-cyclohexyl-3-nitro-5-oxo-2H-pyrrol-4-yl)amino]-3-phenylpropanoic acid
Also Known As: Nopy-L-phenylalanine, N-(4-Nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine, N-(4-Nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)-L-phenylalanine, n-(1-cyclohexyl-4-nitro-2-oxo-2,5-dihydro-1h-pyrrol-3-yl)-l-phenylalanine, (2S)-2-[(1-cyclohexyl-3-nitro-5-oxo-2H-pyrrol-4-yl)amino]-3-phenylpropanoic acid
| Molecular Formula | C19H23N3O5 |
| Molecular Weight | 373.16376 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.16376 Da |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
| SMILES | C1CCC(CC1)N2CC(=C(C2=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-] |
| InChIKey | DRIAKBPJKXZIJI-HNNXBMFYSA-N |
The XLogP value of 3.5 indicates that N-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine. Following Lipinski's Rule of Five, N-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine has 2 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-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine is 56242-82-1.
The molecular formula of N-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine is C19H23N3O5.
The molecular weight of N-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine is 373.16376 g/mol.
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