4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
TL;DR: 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid (CAS 1025768-53-9) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: 4-(3-methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid, F1278-0042, 4-oxo-2-((pyridin-3-ylmethyl)amino)-4-(m-tolylamino)butanoic acid, 3-[(3-methylphenyl)carbamoyl]-2-(pyridin-3-ylmethylamino)propanoic Acid
Technical Specifications
| Molecular Formula | C17H19N3O3 |
| Molecular Weight | 313.14264 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.14264 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2 |
| InChIKey | GVGKDIGTINVUOQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Property Insights of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
The XLogP value of -0.1 indicates that 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The CAS number of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 1025768-53-9.
What is the molecular formula of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The molecular formula of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is C17H19N3O3.
What is the molecular weight of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The molecular weight of 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 313.14264 g/mol.
Where can I buy 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
You can request a quote for 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Methylanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.