chempirical

1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate

C14H23NO5CAS 166410-05-5285.34 g/mol

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CarbamateEsterKetone

Properties

Molecular formula
C14H23NO5
Molar mass
285.34 g/mol
Exact mass
285.1576 Da
logP
1.91Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
166410-05-5
SMILES
CC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIKey
MPNWQUWKRDADHK-JTQLQIEISA-N
InChI
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h10H,7-8H2,1-6H3/t10-/m0/s1

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Names and synonyms

4 names
  • 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, bis(1,1-dimethylethyl) ester, (S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, bis(1,1-dimethylethyl) ester, (2S)-
  • (2S)-4-Oxopyrrolidine-1,2-dicarboxylic acid di(tert-butyl) ester

Work with 1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-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-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-281 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-869 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-451 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-451 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-750 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-349 % similar N-Boc-3,4-dehydro-L-proline methyl ester74844-93-248 % similar N-Boc-cis-2,6-diethyl-4-piperidone1003843-30-847 % similar

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

Elsewhere

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