(3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
TL;DR: (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate (CAS 117845-15-5) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
Also Known As: (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate, (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-3-carboxylate
Technical Specifications
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.08954 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.08954 Da |
| Heavy Atoms | 11 |
| Complexity | 173.0 |
| SMILES | C[N+]1(C[C@@H]([C@H](C1)O)C(=O)[O-])C |
| InChIKey | WTBNMEWVZFFAPJ-WDSKDSINSA-N |
Chemical Property Profile of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
Property Insights of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate. Following Lipinski's Rule of Five, (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
The CAS number of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is 117845-15-5.
What is the molecular formula of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
The molecular formula of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is C7H13NO3.
What is the molecular weight of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
The molecular weight of (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate is 159.08954 g/mol.
Where can I buy (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
You can request a quote for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for (3S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.