2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid
TL;DR: 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid (CAS 141871-02-5) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
Also Known As: boc-n-me-abz-oh, 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid, boc-meabz-oh, boc-n-me-2-abz-oh, n-boc-n-methylanthranilic acid
Technical Specifications
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.11575 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| SMILES | CC(C)(C)OC(=O)N(C)C1=CC=CC=C1C(=O)O |
| InChIKey | UXLICAHPTWWCII-UHFFFAOYSA-N |
Chemical Property Profile of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid
Property Insights of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid has 1 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-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid?
The CAS number of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid is 141871-02-5.
What is the molecular formula of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid?
The molecular formula of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid is C13H17NO4.
What is the molecular weight of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid?
The molecular weight of 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid is 251.11575 g/mol.
Where can I buy 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid?
You can request a quote for 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.