TL;DR: N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine (CAS 94230-81-6) is a chemical compound with molecular formula C10H17BrN2O4 and molecular weight 308.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(2-bromo-4-methylpentanoyl)amino]acetyl]amino]acetic acid
Also Known As: n-(2-bromo-4-methylpentanoyl)glycylglycine, N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine, N-(2-Bromo-4-methyl-1-oxopentyl)glycylglycine, (1)-N-(N-(2-Bromo-4-methyl-1-oxopentyl)glycyl)-glycine, (+-)-N-[N-(2-bromo-4-methyl-1-oxopentyl)glycyl]-glycine
| Molecular Formula | C10H17BrN2O4 |
| Molecular Weight | 308.03717 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.03717 Da |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
| SMILES | CC(C)CC(C(=O)NCC(=O)NCC(=O)O)Br |
| InChIKey | ZBXSVQJKCGZRKV-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine. Following Lipinski's Rule of Five, N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine is 94230-81-6.
The molecular formula of N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine is C10H17BrN2O4.
The molecular weight of N-[N-(DL-2-Bromo-4-methyl valeryl)glycyl]glycine is 308.03717 g/mol.
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