(S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate (CAS 1173686-37-7) is a chemical compound with molecular formula C12H22N2O3 and molecular weight 242.16304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
Also Known As: methyl N-(pyrrolidin-1-ylcarbonyl)-L-leucinate, (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate, methyl (2S)-4-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
Technical Specifications
| Molecular Formula | C12H22N2O3 |
| Molecular Weight | 242.16304 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.16304 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)N1CCCC1 |
| InChIKey | KRDWNRKTXKYNJF-JTQLQIEISA-N |
Chemical Property Profile of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate. With a topological polar surface area (TPSA) of 58.6 Ų, (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate 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 (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate is 1173686-37-7.
What is the molecular formula of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate is C12H22N2O3.
What is the molecular weight of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate is 242.16304 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 4-methyl-2-(pyrrolidine-1-carboxamido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.