TL;DR: (S)-2-(tert-Butyl)pyrrolidine (CAS 1344468-55-8) is a chemical compound with molecular formula C8H17N and molecular weight 127.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-tert-butylpyrrolidine
Also Known As: 2-tert-butylpyrrolidine, starbld0025500, (S)-2-(tert-Butyl)pyrrolidine, (2S)-2-tert-butylpyrrolidine
| Molecular Formula | C8H17N |
| Molecular Weight | 127.1361 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.1361 Da |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
| SMILES | CC(C)(C)[C@@H]1CCCN1 |
| InChIKey | IQJZUYFOSMJZSV-ZETCQYMHSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(tert-Butyl)pyrrolidine. With a topological polar surface area (TPSA) of 12.0 Ų, (S)-2-(tert-Butyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(tert-Butyl)pyrrolidine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-(tert-Butyl)pyrrolidine is 1344468-55-8.
The molecular formula of (S)-2-(tert-Butyl)pyrrolidine is C8H17N.
The molecular weight of (S)-2-(tert-Butyl)pyrrolidine is 127.1361 g/mol.
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