chempirical

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

C10H15F2NO4CAS 203866-15-3251.23 g/mol

Open in Covalent MOL file
OONFFOOH
Alkyl halideCarbamateCarboxylic acid

Properties

Molecular formula
C10H15F2NO4
Molar mass
251.23 g/mol
Exact mass
251.0969 Da
logP
1.72Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
203866-15-3
SMILES
CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)O
InChIKey
WTMZYKCXBXPVPT-LURJTMIESA-N
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m0/s1

Weigh it out

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) ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester, (S)-
  • (2S)-1-tert-Butoxycarbonyl-4,4-difluoropyrrolidine-2-carboxylic acid
  • (2S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarboxylic acid
  • (S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
  • (2S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
  • N-Boc-4,4-difluoro-L-proline
  • (2S)-4,4-Difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Work with 1-(1,1-Dimethylethyl) (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-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-271 % similar (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid1129634-44-170 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate203866-17-567 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-858 % similar 1-(1,1-Dimethylethyl) (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-13-157 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-14-257 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-957 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-755 % similar

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

Elsewhere

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