(2S,4R)-tert-Butyl 2-(hydroxymethyl)-4-(methylsulfonyloxy)pyrrolidine-1-carboxylate

C₁₁H₂₁NO₆SCAS 148017-07-6295.35 g/mol

Open in Covalent MOL file

Alcohol Carbamate Sulfonate ester

Properties

Molecular formula: C₁₁H₂₁NO₆S
Molar mass: 295.35 g/mol
Exact mass: 295.1090 Da
logP: 0.33Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

148017-07-6

SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CO)OS(=O)(=O)C

InChIKey

GBUOWVDRNWNHOE-DTWKUNHWSA-N

InChI

InChI=1S/C11H21NO6S/c1-11(2,3)17-10(14)12-6-9(5-8(12)7-13)18-19(4,15)16/h8-9,13H,5-7H2,1-4H3/t8-,9+/m0/s1

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Work with (2S,4R)-tert-Butyl 2-(hydroxymethyl)-4-(methylsulfonyloxy)pyrrolidine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-064 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-454 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-150 % similar tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-048 % similar N-Boc-cis-4-hydroxy-D-proline135042-12-544 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-744 % similar (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-044 % similar (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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