TL;DR: 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic acid (CAS 108322-02-7) is a chemical compound with molecular formula C6H12N2O4 and molecular weight 176.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-amino-3-hydroxypropanoyl)amino]propanoic acid
Also Known As: Ser-beta-Ala, Seryl-beta-alanine, Ser-, A-Ala, SER-B-ALA
| Molecular Formula | C6H12N2O4 |
| Molecular Weight | 176.07971 g/mol |
| XLogP | -4.8 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.07971 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | C(CNC(=O)C(CO)N)C(=O)O |
| InChIKey | IZDRKBSVWYKCQR-UHFFFAOYSA-N |
The XLogP value of -4.8 indicates that 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic acid. Following Lipinski's Rule of Five, 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic 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 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic acid is 108322-02-7.
The molecular formula of 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic acid is C6H12N2O4.
The molecular weight of 3-[(2-Amino-3-hydroxypropanoyl)amino]propanoic acid is 176.07971 g/mol.
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