| CAS Number | 1781164-79-1 |
| Catalog Number | AG01AM6F |
| Chemical Name | 2-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-2-fluoroacetic acid |
| IUPAC Name | 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid |
| InChI | InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(6-13)8(12)9(14)15/h7-8H,4-6H2,1-3H3,(H,14,15) |
| InChI Key | ZTDXVQFLZHPSJK-UHFFFAOYSA-N |
| MDL Number | MFCD30497440 |
| Molecular Formula | C11H18FNO4 |
| Molecular Weight | 247.2633 |
| SMILES | CC(OC(N1CC(C(C(O)=O)F)CC1)=O)(C)C |
| Synonyms | 2-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-2-fluoroacetic acid,
1781164-79-1,
AKOS033980894,
Z2689172089,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.266g/mol |
| Monoisotopic Mass | 247.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number