(S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate
TL;DR: (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate (CAS 1435914-68-3) is a chemical compound with molecular formula C11H20N2O3 and molecular weight 228.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
Also Known As: Methyl (pyrrolidine-1-carbonyl)-L-valinate, (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate, methyl (2S)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
Technical Specifications
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.1474 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.1474 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)N1CCCC1 |
| InChIKey | WRWKOKRJJBECJA-VIFPVBQESA-N |
Chemical Property Profile of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate
Property Insights of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate. With a topological polar surface area (TPSA) of 58.6 Ų, (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate 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 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate?
The CAS number of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate is 1435914-68-3.
What is the molecular formula of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate?
The molecular formula of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate is C11H20N2O3.
What is the molecular weight of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate?
The molecular weight of (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate is 228.1474 g/mol.
Where can I buy (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate?
You can request a quote for (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 3-methyl-2-(pyrrolidine-1-carboxamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.