TL;DR: 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid (CAS 113969-30-5) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
Also Known As: N-Phenylacetyl-Gly-Lys, Phenylac-Gly-Lys-OH, N-(Phenylacetyl)glycyllysine, 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid, methyl 2-[2-(2,4,5-trichlorophenoxy)acetyl]benzoate
| Molecular Formula | C16H23N3O4 |
| Molecular Weight | 321.16885 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 321.16885 Da |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)NCC(=O)NC(CCCCN)C(=O)O |
| InChIKey | VPCYMTNCRVUYFU-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid. Following Lipinski's Rule of Five, 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid has 4 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 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid is 113969-30-5.
The molecular formula of 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid is C16H23N3O4.
The molecular weight of 6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic Acid is 321.16885 g/mol.
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