TL;DR: 2-[(2-Chloroacetyl)amino]pentanedioic acid (CAS 121704-20-9) is a chemical compound with molecular formula C7H10ClNO5 and molecular weight 223.02475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloroacetyl)amino]pentanedioic acid
Also Known As: N-CAG, N-Chloroacetylglutamic acid, CHLOROACETYL-L-GLUTAMIC ACID, 2-[(2-chloroacetyl)amino]pentanedioic acid, 2-(2-CHLOROACETAMIDO)PENTANEDIOIC ACID
| Molecular Formula | C7H10ClNO5 |
| Molecular Weight | 223.02475 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.02475 Da |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
| SMILES | C(CC(=O)O)C(C(=O)O)NC(=O)CCl |
| InChIKey | RYWXHONDNXJXKM-UHFFFAOYSA-N |
The XLogP value of -1.2 indicates that 2-[(2-Chloroacetyl)amino]pentanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloroacetyl)amino]pentanedioic acid. Following Lipinski's Rule of Five, 2-[(2-Chloroacetyl)amino]pentanedioic acid has 3 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 2-[(2-Chloroacetyl)amino]pentanedioic acid is 121704-20-9.
The molecular formula of 2-[(2-Chloroacetyl)amino]pentanedioic acid is C7H10ClNO5.
The molecular weight of 2-[(2-Chloroacetyl)amino]pentanedioic acid is 223.02475 g/mol.
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