Rel-1,1-Dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate

C9H16FNO3CAS 869481-93-6205.23 g/mol

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OONOHF
AlcoholAlkyl halideCarbamate

Properties

Molecular formula
C9H16FNO3
Molar mass
205.23 g/mol
Exact mass
205.1114 Da
logP
0.94Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
S, 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
869481-93-6
SMILES
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](F)C1
InChIKey
KTBDFQPHEPDHQW-WZTWBHKBNA-N
InChI
InChI=1/C9H16FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7-/s2

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Names and synonyms

2 names
  • 1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
  • trans-3-Fluoro-4-hydroxypyrrolidine-1-carboxylic acid tert-butyl ester

Work with Rel-1,1-Dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate

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

tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-679 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-879 % similar trans-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate955028-82-777 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-676 % similar 1-N-Boc-3-hydroxyazetidine141699-55-067 % similar 1,1-Dimethylethyl (3S,4S)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1009075-43-765 % similar 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1174020-30-465 % similar tert-Butyl (3R,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate1441392-27-365 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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