chempirical

1-(1,1-Dimethylethyl) 2-methyl (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate

C11H17F2NO4CAS 203866-17-5265.26 g/mol

Open in Covalent MOL file
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Alkyl halideCarbamateEster

Properties

Molecular formula
C11H17F2NO4
Molar mass
265.26 g/mol
Exact mass
265.1126 Da
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
203866-17-5
SMILES
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C
InChIKey
RQDZKOOUQIDZOG-ZETCQYMHSA-N
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4/h7H,5-6H2,1-4H3/t7-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-
  • tert-Butyl (2S)-2-(methoxycarbonyl)-4,4-difluoropyrrolidine-1-carboxylate
  • 1-tert-Butyl 2-methyl (S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
  • 1-tert-Butyl 2-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
  • 1-O-tert-Butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
  • (S)-1-tert-Butyl 2-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester (2S)-

Work with 1-(1,1-Dimethylethyl) 2-methyl (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate

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-(1,1-Dimethylethyl) (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate203866-15-367 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-259 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-458 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-18-658 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-955 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-655 % similar 1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-355 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-155 % similar

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

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