TL;DR: Asp-Ala (CAS 13433-02-8) is a chemical compound with molecular formula C7H12N2O5 and molecular weight 204.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid
Also Known As: Asp-Ala, aspartylalanine, DA dipeptide, Aspartyl-Alanine, alpha-Asp-ala
| Molecular Formula | C7H12N2O5 |
| Molecular Weight | 204.07462 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.07462 Da |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
| SMILES | CC(C(=O)O)NC(=O)C(CC(=O)O)N |
| InChIKey | DVUFTQLHHHJEMK-UHFFFAOYSA-N |
The XLogP value of -4.1 indicates that Asp-Ala is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Asp-Ala. Following Lipinski's Rule of Five, Asp-Ala has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Asp-Ala is 13433-02-8.
The molecular formula of Asp-Ala is C7H12N2O5.
The molecular weight of Asp-Ala is 204.07462 g/mol.
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