2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
TL;DR: 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid (CAS 1042693-47-9) is a chemical compound with molecular formula C15H19N3O5 and molecular weight 321.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 2-(cyclopentylamino)-3-[(3-nitrophenyl)carbamoyl]propanoic Acid, 2-(cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid, 2-(cyclopentylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid, F1278-0454, 2-(cyclopentylamino)-3-[N-(3-nitrophenyl)carbamoyl]propanoic acid
Technical Specifications
| Molecular Formula | C15H19N3O5 |
| Molecular Weight | 321.13248 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.13248 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | C1CCC(C1)NC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | YMLSRFFCXWAGGX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Property Insights of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
The XLogP value of -0.4 indicates that 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 6 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-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
The CAS number of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is 1042693-47-9.
What is the molecular formula of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is C15H19N3O5.
What is the molecular weight of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid is 321.13248 g/mol.
Where can I buy 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Cyclopentylamino)-4-(3-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.