| CAS Number | 1823864-13-6 |
| Catalog Number | AG01BTSE |
| Chemical Name | 3-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}prop-2-ynoic acid |
| IUPAC Name | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-ynoic acid |
| InChI | InChI=1S/C12H17NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h9H,4-5,8H2,1-3H3,(H,14,15) |
| InChI Key | WQDZHZALQWGGPL-UHFFFAOYSA-N |
| MDL Number | MFCD27998149 |
| Molecular Formula | C12H17NO4 |
| Molecular Weight | 239.2677 |
| SMILES | CC(OC(N1C(C#CC(O)=O)CCC1)=O)(C)C |
| Synonyms | 3-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}prop-2-ynoic acid,
1823864-13-6,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.271g/mol |
| Monoisotopic Mass | 239.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number