TL;DR: (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide (CAS 128245-92-1) is a chemical compound with molecular formula C9H20N4O2 and molecular weight 216.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2,6-diamino-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide
Also Known As: L-Alaninamide, L-lysyl-, 2,6-diamino-N-(1-amino-1-oxopropan-2-yl)hexanamide, (2S)-2,6-diamino-N-[(1S)-1-carbamoylethyl]hexanamide, (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide
| Molecular Formula | C9H20N4O2 |
| Molecular Weight | 216.15863 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.15863 Da |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
| SMILES | C[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)N |
| InChIKey | KMYRMLZSDUYOBP-BQBZGAKWSA-N |
The XLogP value of -1.9 indicates that (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide. Following Lipinski's Rule of Five, (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide has 4 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 (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide is 128245-92-1.
The molecular formula of (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide is C9H20N4O2.
The molecular weight of (S)-2,6-Diamino-hexanoic acid ((S)-1-carbamoyl-ethyl)-amide is 216.15863 g/mol.
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