2-Amino-4-anilino-4-oxobutanoic acid
TL;DR: 2-Amino-4-anilino-4-oxobutanoic acid (CAS 1220953-95-6) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-anilino-4-oxobutanoic acid
Also Known As: N~4~-phenylasparagine, N4-phenylasparagine, phenylasparagine, N-phenylasparagine, Aminosuccinanilsaure
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.0848 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0848 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)CC(C(=O)O)N |
| InChIKey | MPAUCEQZKGWZGT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4-anilino-4-oxobutanoic acid
Property Insights of 2-Amino-4-anilino-4-oxobutanoic acid
The XLogP value of -2.0 indicates that 2-Amino-4-anilino-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-anilino-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-Amino-4-anilino-4-oxobutanoic acid has 3 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 2-Amino-4-anilino-4-oxobutanoic acid?
The CAS number of 2-Amino-4-anilino-4-oxobutanoic acid is 1220953-95-6.
What is the molecular formula of 2-Amino-4-anilino-4-oxobutanoic acid?
The molecular formula of 2-Amino-4-anilino-4-oxobutanoic acid is C10H12N2O3.
What is the molecular weight of 2-Amino-4-anilino-4-oxobutanoic acid?
The molecular weight of 2-Amino-4-anilino-4-oxobutanoic acid is 208.0848 g/mol.
Where can I buy 2-Amino-4-anilino-4-oxobutanoic acid?
You can request a quote for 2-Amino-4-anilino-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-anilino-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-anilino-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.