(S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
TL;DR: (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid (CAS 1217671-12-9) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-ynylpyrrolidine-2-carboxylic acid
Also Known As: Boc-(S)-alpha-propynyl-proline, (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid, Boc-(R)-alpha-propynyl-proline, Boc-D-(Propynyl)Pro-OH, Boc-(S)--Propynyl-proline
Technical Specifications
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.13141 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.13141 Da |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC#C)C(=O)O |
| InChIKey | NZGJCBRBXVANRO-CYBMUJFWSA-N |
Chemical Property Profile of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
Property Insights of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid has 1 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 (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid?
The CAS number of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid is 1217671-12-9.
What is the molecular formula of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid?
The molecular formula of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid is C13H19NO4.
What is the molecular weight of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid?
The molecular weight of (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid is 253.13141 g/mol.
Where can I buy (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid?
You can request a quote for (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.