TL;DR: Aspartic acid, N-nicotinoyl-, DL- (CAS 13839-28-6) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.05898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(pyridine-3-carbonylamino)butanedioic acid
Also Known As: 2-(nicotinamido)succinic acid, Aspartic acid, N-nicotinoyl-, DL-, N-(pyridin-3-ylcarbonyl)aspartic acid, N-(Pyridine-3-carbonyl)aspartic acid, 2-(pyridine-3-carbonylamino)butanedioic Acid
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.05898 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.05898 Da |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| SMILES | C1=CC(=CN=C1)C(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | LSIRGZKVRFDTNG-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that Aspartic acid, N-nicotinoyl-, DL- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspartic acid, N-nicotinoyl-, DL-. Following Lipinski's Rule of Five, Aspartic acid, N-nicotinoyl-, DL- has 3 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 Aspartic acid, N-nicotinoyl-, DL- is 13839-28-6.
The molecular formula of Aspartic acid, N-nicotinoyl-, DL- is C10H10N2O5.
The molecular weight of Aspartic acid, N-nicotinoyl-, DL- is 238.05898 g/mol.
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