TL;DR: N-[N-(Chloroacetyl)glycyl]-DL-valine (CAS 94088-95-6) is a chemical compound with molecular formula C9H15ClN2O4 and molecular weight 250.07204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(2-chloroacetyl)amino]acetyl]amino]-3-methylbutanoic acid
Also Known As: n-(chloroacetyl)glycylvaline, Valine, N-(chloroacetyl)glycyl-, N-[N-(CHLOROACETYL)GLYCYL]-DL-VALINE, N-(N-(Chloroacetyl)glycyl)-DL-valine, N-{[(chloroacetyl)amino]acetyl}valine
| Molecular Formula | C9H15ClN2O4 |
| Molecular Weight | 250.07204 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.07204 Da |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
| SMILES | CC(C)C(C(=O)O)NC(=O)CNC(=O)CCl |
| InChIKey | BKNMSZCXSKJYBI-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that N-[N-(Chloroacetyl)glycyl]-DL-valine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[N-(Chloroacetyl)glycyl]-DL-valine. Following Lipinski's Rule of Five, N-[N-(Chloroacetyl)glycyl]-DL-valine 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-(Chloroacetyl)glycyl]-DL-valine is 94088-95-6.
The molecular formula of N-[N-(Chloroacetyl)glycyl]-DL-valine is C9H15ClN2O4.
The molecular weight of N-[N-(Chloroacetyl)glycyl]-DL-valine is 250.07204 g/mol.
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