4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid
TL;DR: 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid (CAS 147636-53-1) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoic acid
Also Known As: 4-oxo-4-(1-pyrrolidinyl)-2-butenoic acid, (E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoic acid, 4-oxo-4-pyrrolidin-1-yl-but-2-enoic Acid, 2-Butenoic acid, 4-oxo-4-(1-pyrrolidinyl)-, (E)-, 4-oxo-4-(pyrrolidin-1-yl)but-2-enoic acid
Technical Specifications
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.0739 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.0739 Da |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
| SMILES | C1CCN(C1)C(=O)/C=C/C(=O)O |
| InChIKey | PRWOFATVPNXQOZ-ONEGZZNKSA-N |
Chemical Property Profile of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid
Property Insights of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid 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 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid?
The CAS number of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid is 147636-53-1.
What is the molecular formula of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid?
The molecular formula of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid is C8H11NO3.
What is the molecular weight of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid?
The molecular weight of 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid is 169.0739 g/mol.
Where can I buy 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid?
You can request a quote for 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.