TL;DR: N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester (CAS 105427-04-1) is a chemical compound with molecular formula C8H14BrNO3 and molecular weight 251.01572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(2-bromo-2-methylpropanoyl)amino]acetate
Also Known As: Sarcotoxin iic, N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester, ethyl 2-[(2-bromo-2-methylpropanoyl)amino]acetate, ethyl N-(2-bromo-2-methylpropanoyl)glycinate, N-(2-Bromo-2-methyl-1-oxopropyl)glycine ethyl ester
| Molecular Formula | C8H14BrNO3 |
| Molecular Weight | 251.01572 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.01572 Da |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| SMILES | CCOC(=O)CNC(=O)C(C)(C)Br |
| InChIKey | YNFHETZVQGBFCQ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester is 105427-04-1.
The molecular formula of N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester is C8H14BrNO3.
The molecular weight of N-(2-Bromo-2-methyl-1-oxopropyl)glycine, ethyl ester is 251.01572 g/mol.
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