Methyl 3-pyrrolidin-1-ylbut-2-enoate
TL;DR: Methyl 3-pyrrolidin-1-ylbut-2-enoate (CAS 55212-79-8) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyrrolidin-1-ylbut-2-enoate
Also Known As: NCIOpen2_001570, methyl 3-pyrrolidin-1-ylbut-2-enoate, methyl 3-(pyrrolidin-1-yl)but-2-enoate, methyl (Z)-3-pyrrolidin-1-ylbut-2-enoate, (E)-3-pyrrolidinobut-2-enoic acid methyl ester
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 55212-79-8 |
|---|---|
| SMILES | CC(=CC(=O)OC)N1CCCC1 |
| InChIKey | UTIVUPFHBDCEGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-pyrrolidin-1-ylbut-2-enoate (CAS 55212-79-8), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: methyl 3-pyrrolidin-1-ylbut-2-enoate.
Chemical Property Profile of Methyl 3-pyrrolidin-1-ylbut-2-enoate
Property Insights of Methyl 3-pyrrolidin-1-ylbut-2-enoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-pyrrolidin-1-ylbut-2-enoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 3-pyrrolidin-1-ylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-pyrrolidin-1-ylbut-2-enoate 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 3-pyrrolidin-1-ylbut-2-enoate?
The CAS number of Methyl 3-pyrrolidin-1-ylbut-2-enoate is 55212-79-8.
What is the molecular formula of Methyl 3-pyrrolidin-1-ylbut-2-enoate?
The molecular formula of Methyl 3-pyrrolidin-1-ylbut-2-enoate is C9H15NO2.
What is the molecular weight of Methyl 3-pyrrolidin-1-ylbut-2-enoate?
The molecular weight of Methyl 3-pyrrolidin-1-ylbut-2-enoate is 169.11 g/mol.
Where can I buy Methyl 3-pyrrolidin-1-ylbut-2-enoate?
You can request a quote for Methyl 3-pyrrolidin-1-ylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-pyrrolidin-1-ylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-pyrrolidin-1-ylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.