| CAS Number | 1228663-93-1 |
| Catalog Number | AG00HH2P(AGN-PC-0WC5IL) |
| Chemical Name | (Trans)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine 1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl (3S,4R)-4-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]pyrrolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C21H30FN3O5/c1-21(2,3)30-20(28)25-10-15(16(11-25)19(27)29-4)14-5-6-17(23-18(14)22)24-8-7-13(9-24)12-26/h5-6,13,15-16,26H,7-12H2,1-4H3/t13?,15-,16+/m0/s1 |
| InChI Key | LEWZNGHVDNDITL-PXWJKWRZSA-N |
| MDL Number | MFCD16628216 |
| Molecular Formula | C21H30FN3O5 |
| Molecular Weight | 423.4784 |
| SMILES | CC(C)(C)OC(=O)N1CC(C(C1)C(=O)OC)C2=C(N=C(C=C2)N3CCC(C3)CO)F |
| Synonyms | 1228663-93-1,
(TRANS)-1-TERT-BUTYL 3-METHYL 4-(2-FLUORO-6-(3-(HYDROXYMETHYL)PYRROLIDIN-1-YL)PYRIDIN-3-YL)PYRROLIDINE 1,3-DICARBOXYLATE,
(trans)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate,
(trans)-1-tert-Butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidi,
AC1Q41HN,
KM5682,
MFCD16628216,
(trans)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate, AldrichCPR,
1-tert-butyl 3-methyl (3S,4R)-4-{2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}pyrrolidine-1,3-dicarboxylate,
|
| Complexity | 628 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.217g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.485g/mol |
| Monoisotopic Mass | 423.217g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number