1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate
TL;DR: 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate (CAS 155905-79-6) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-tert-butyl 2-O-methyl 2,5-dihydropyrrole-1,2-dicarboxylate
Also Known As: 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate, Boc-3,4-dehydro-L-proline methyl ester, Boc-3,4-dehydro-L-prolinemethylester, 1-tert-butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate, J1.103.850F
Technical Specifications
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.11575 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.11575 Da |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
| SMILES | CC(C)(C)OC(=O)N1CC=CC1C(=O)OC |
| InChIKey | YDQDZLXTPXNOKO-UHFFFAOYSA-N |
Chemical Property Profile of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate
Property Insights of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate?
The CAS number of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate is 155905-79-6.
What is the molecular formula of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate?
The molecular formula of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate is C11H17NO4.
What is the molecular weight of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate?
The molecular weight of 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate is 227.11575 g/mol.
Where can I buy 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate?
You can request a quote for 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1-tert-butyl 2-methyl 2,5-dihydro-1H-pyrrole-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.