Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate
TL;DR: Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate (CAS 4151-03-5) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-pyrrolidin-1-ylpropanoate
Also Known As: methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate, methyl 2-methyl-3-pyrrolidin-1-ylpropanoate, METHYL2-METHYL-3- PROPANOATE, Methyl alpha-methylpyrrolidine-1-propionate, 4-TERT-BUTYLBENZOICACIDVINYLESTER
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 4151-03-5 |
|---|---|
| SMILES | CC(CN1CCCC1)C(=O)OC |
| InChIKey | CKYVYVAZNCMKAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate (CAS 4151-03-5), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 2-methyl-3-pyrrolidin-1-ylpropanoate.
Chemical Property Profile of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate
Property Insights of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate has 0 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 Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate?
The CAS number of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate is 4151-03-5.
What is the molecular formula of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate?
The molecular formula of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate is C9H17NO2.
What is the molecular weight of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate?
The molecular weight of Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate is 171.13 g/mol.
Where can I buy Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate?
You can request a quote for Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.