TL;DR: methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate (CAS 1008673-60-6) is a chemical compound with molecular formula C14H15ClN2O4 and molecular weight 310.07202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate
Also Known As: methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate, 2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester, methyl N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylglycinate, methyl N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methylglycinate, methyl 2-((1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)(methyl)amino)acetate
| Molecular Formula | C14H15ClN2O4 |
| Molecular Weight | 310.07202 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.07202 Da |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
| SMILES | CN(CC(=O)OC)C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl |
| InChIKey | PORZWAKMDSHJPG-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate. Following Lipinski's Rule of Five, methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate has 0 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 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate is 1008673-60-6.
The molecular formula of methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate is C14H15ClN2O4.
The molecular weight of methyl 2-[[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetate is 310.07202 g/mol.
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