| CAS Number | 1438852-71-1 |
| Catalog Number | AG00HWZI(AGN-PC-0WCKMQ) |
| Chemical Name | Methyl (S)-1-Boc-3-fluoropyrrolidine-3-carboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl (3S)-3-fluoropyrrolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C11H18FNO4/c1-10(2,3)17-9(15)13-6-5-11(12,7-13)8(14)16-4/h5-7H2,1-4H3/t11-/m0/s1 |
| InChI Key | WJXDMHSZPKIZKP-NSHDSACASA-N |
| MDL Number | MFCD27986980 |
| Molecular Formula | C11H18FNO4 |
| Molecular Weight | 247.2633 |
| SMILES | C(=O)(OC(C)(C)C)N1C[C@@](CC1)(C(=O)OC)F |
| Synonyms | Methyl (S)-1-Boc-3-fluoropyrrolidine-3-carboxylate,
1438852-71-1,
1-tert-butyl 3-methyl (3S)-3-fluoropyrrolidine-1,3-dicarboxylate,
SCHEMBL14962727,
WJXDMHSZPKIZKP-NSHDSACASA-N,
MFCD27986980,
ZINC95707362,
SB11624,
AS-52062,
CS-0052377,
1-TERT-BUTYL 3-METHYL 3-FLUOROPYRROLIDINE-1,3-DICARBOXYLATE,
942189-96-0,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.266g/mol |
| Monoisotopic Mass | 247.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number