| CAS Number | 871727-59-2 |
| Catalog Number | AG019ERE(AGN-PC-0VBBI4) |
| Chemical Name | (R)-tert-Butyl 2-(2-(methylamino)thiazol-4-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (2R)-2-[2-(methylamino)-1,3-thiazol-4-yl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H21N3O2S/c1-13(2,3)18-12(17)16-7-5-6-10(16)9-8-19-11(14-4)15-9/h8,10H,5-7H2,1-4H3,(H,14,15)/t10-/m1/s1 |
| InChI Key | KMJYDFOIIPQZMG-SNVBAGLBSA-N |
| MDL Number | MFCD30185883 |
| Molecular Formula | C13H21N3O2S |
| Molecular Weight | 283.3897 |
| SMILES | CN=c1[nH]c(cs1)[C@H]1CCCN1C(=O)OC(C)(C)C |
| Synonyms | (R)-tert-Butyl 2-(2-(methylamino)thiazol-4-yl)pyrrolidine-1-carboxylate,
871727-59-2,
SCHEMBL8218887,
MFCD30185883,
AKOS027430248,
ZINC144566491,
CS-0037511,
(R)-t-Butyl 2-(2-(methylamino)thiazol-4-yl)pyrrolidine-1-carboxylate,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.39g/mol |
| Monoisotopic Mass | 283.135g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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