O1-tert-butyl O2-methyl (2S,4R)-4-sulfanylpyrrolidine-1,2-dicarboxylate - CAS 1252640-74-6
Catalog: |
BB006097 |
Product Name: |
O1-tert-butyl O2-methyl (2S,4R)-4-sulfanylpyrrolidine-1,2-dicarboxylate |
CAS: |
1252640-74-6 |
Synonyms: |
(2S,4R)-4-mercaptopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester; 1-O-tert-butyl 2-O-methyl (2S,4R)-4-sulfanylpyrrolidine-1,2-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 2-O-methyl (2S,4R)-4-sulfanylpyrrolidine-1,2-dicarboxylate |
Description: | O1-tert-butyl O2-methyl (2S,4R)-4-sulfanylpyrrolidine-1,2-dicarboxylate (CAS# 1252640-74-6 ) is a useful research chemical. |
Molecular Weight: | 261.336 |
Molecular Formula: | C11H19NO4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)S |
InChI: | InChI=1S/C11H19NO4S/c1-11(2,3)16-10(14)12-6-7(17)5-8(12)9(13)15-4/h7-8,17H,5-6H2,1-4H3/t7-,8+/m1/s1 |
InChI Key: | CHOZATQWCASPQA-SFYZADRCSA-N |
LogP: | 1.40510 |
Publication Number | Title | Priority Date |
EP-3313828-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
US-10227331-B2 | Metallo-β-lactamase inhibitors | 20150626 |
US-2018179190-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
WO-2016206101-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
WO-2016210234-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.10347926 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.10347926 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Pyrrolidines
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