pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt
TL;DR: pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt (CAS 515-24-2) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
Also Known As: Betonicine, Achilleine, trans-4-hydroxy-L-proline betaine, 4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate, J2.366.314G
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 515-24-2 |
|---|---|
| SMILES | C[N+]1(CC(CC1C(=O)[O-])O)C |
| InChIKey | MUNWAHDYFVYIKH-UHFFFAOYSA-N |
Product Overview
pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt (CAS 515-24-2), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: 4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate.
Chemical Property Profile of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt
Property Insights of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt. Following Lipinski's Rule of Five, pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt 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
Frequently Asked Questions
What is the CAS number of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt?
The CAS number of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt is 515-24-2.
What is the molecular formula of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt?
The molecular formula of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt is C7H13NO3.
What is the molecular weight of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt?
The molecular weight of pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt is 159.09 g/mol.
Where can I buy pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt?
You can request a quote for pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.