2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid
TL;DR: 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid (CAS 1022401-28-0) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-carboxycyclopropanecarbonyl)amino]-3-methylbenzoic acid
Also Known As: 2-((2-CARBOXYCYCLOPROPYL)CARBONYLAMINO)-3-METHYLBENZOIC ACID, 2-(2-carboxycyclopropaneamido)-3-methylbenzoic acid, 2-[(2-carboxycyclopropanecarbonyl)amino]-3-methylbenzoic acid, 2-[(2-carboxycyclopropanecarbonyl)amino]-3-methyl-benzoic Acid, 2-(2-Carboxycyclopropane-1-carboxamido)-3-methylbenzoic acid
Technical Specifications
| Molecular Formula | C13H13NO5 |
| Molecular Weight | 263.07938 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 Da |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
| SMILES | CC1=C(C(=CC=C1)C(=O)O)NC(=O)C2CC2C(=O)O |
| InChIKey | QTRSAWWYGGBDAR-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid
Property Insights of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid. Following Lipinski's Rule of Five, 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid has 3 hydrogen bond donor(s) and 5 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-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid?
The CAS number of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid is 1022401-28-0.
What is the molecular formula of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid?
The molecular formula of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid is C13H13NO5.
What is the molecular weight of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid?
The molecular weight of 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid is 263.07938 g/mol.
Where can I buy 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid?
You can request a quote for 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((2-Carboxycyclopropyl)carbonylamino)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.