N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine
TL;DR: N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine (CAS 1041195-40-7) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(methylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: starbld0028689, N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine, 3-(Methylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid, 3-(methylamino)-4-(3-nitroanilino)-4-oxobutanoic acid, 3-(methylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid
Technical Specifications
| Molecular Formula | C11H13N3O5 |
| Molecular Weight | 267.0855 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.0855 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | CNC(CC(=O)O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | VYTLASDMZLMNBF-UHFFFAOYSA-N |
Chemical Property Profile of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine
Property Insights of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine
The XLogP value of -2.2 indicates that N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine 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 N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine. Following Lipinski's Rule of Five, N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine 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 N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine?
The CAS number of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine is 1041195-40-7.
What is the molecular formula of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine?
The molecular formula of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine is C11H13N3O5.
What is the molecular weight of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine?
The molecular weight of N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine is 267.0855 g/mol.
Where can I buy N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine?
You can request a quote for N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine?
Yes, CoreyChem provides custom synthesis services for N~2~-methyl-N-(3-nitrophenyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.