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

C11H21NO6SCAS 148017-07-6295.35 g/mol

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OONOHOSOO
AlcoholCarbamateSulfonate 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 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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 1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine141699-58-360 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-454 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-952 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-852 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-150 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-850 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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