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

C10H16FNO4CAS 203866-13-1233.24 g/mol

Open in Covalent MOL file
OONFOOH
Alkyl halideCarbamateCarboxylic acid

Properties

Molecular formula
C10H16FNO4
Molar mass
233.24 g/mol
Exact mass
233.1063 Da
Melting point
160–162 °C
logP
1.42Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
203866-13-1
SMILES
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)O
InChIKey
YGWZXQOYEBWUTH-BQBZGAKWSA-N
InChI
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1

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Names and synonyms

7 names
  • 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S-cis)-
  • (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid
  • (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-pyrrolidinecarboxylic acid
  • N-tert-BOC-cis-4-fluoro-L-proline
  • (4S)-1-tert-Butoxycarbonyl-4-fluoro-L-proline
  • (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylicaci

Work with 1-(1,1-Dimethylethyl) (2S,4S)-4-fluoro-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,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-770 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-467 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-18-667 % similar 1-(1,1-Dimethylethyl) (2S,4S)-4-(methoxymethyl)-1,2-pyrrolidinedicarboxylate1378388-16-964 % similar (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid1129634-44-159 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-858 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate203866-15-357 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-257 % similar

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

Same formula

1-(1,1-Dimethylethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-14-2

Elsewhere

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