TL;DR: N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline (CAS 144395-71-1) is a chemical compound with molecular formula C12H14Cl2N2O5 and molecular weight 336.02798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)propanoylamino]pentanoic acid
Also Known As: 2-[2-(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)propanoylamino]pentanoic Acid, 2-[2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)propanoylamino]pentanoic acid, 2-(2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido)pentanoic acid, N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline
| Molecular Formula | C12H14Cl2N2O5 |
| Molecular Weight | 336.02798 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.02798 Da |
| Heavy Atoms | 21 |
| Complexity | 508.0 |
| SMILES | CCCC(C(=O)O)NC(=O)C(C)N1C(=O)C(=C(C1=O)Cl)Cl |
| InChIKey | JCLVBSYHDLRTGD-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline. Following Lipinski's Rule of Five, N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline 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 N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline is 144395-71-1.
The molecular formula of N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline is C12H14Cl2N2O5.
The molecular weight of N-[2-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]norvaline is 336.02798 g/mol.
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