| CAS Number | 1820575-58-3 |
| Catalog Number | AG01BGYE |
| Chemical Name | tert-Butyl n-([(2s,4s)-4-fluoropyrrolidin-2-yl]methyl)-n-methylcarbamate |
| IUPAC Name | tert-butyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate |
| InChI | InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(4)7-9-5-8(12)6-13-9/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1 |
| InChI Key | ZOZVFOIWQOWAES-IUCAKERBSA-N |
| MDL Number | MFCD28383716 |
| Molecular Formula | C11H21FN2O2 |
| Molecular Weight | 232.2950 |
| SMILES | CN(C(OC(C)(C)C)=O)C[C@H]1NC[C@@H](F)C1 |
| Synonyms | 1820575-58-3,
ZINC238860510,
tert-butyl N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-N-methylcarbamate,
tert-butyl (((2S,4S)-4-fluoropyrrolidin-2-yl)methyl)(methyl)carbamate,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.299g/mol |
| Monoisotopic Mass | 232.159g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number