1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-pyrrolidinedicarboxylate

C₁₂H₁₉NO₅CAS 146256-98-6257.29 g/mol

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Carbamate Ester Ketone

Properties

Molecular formula: C₁₂H₁₉NO₅
Molar mass: 257.29 g/mol
Exact mass: 257.1263 Da
Melting point: 54 °C
logP: 0.99Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Identifiers

CAS number

146256-98-6

SMILES

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1=O

InChIKey

CWRFSVAKVCSOPI-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3

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Names and synonyms

1 names

1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester

Work with 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-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) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate71233-25-577 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-577 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-260 % similar tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate175463-32-852 % similar 3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester1002355-96-549 % similar Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-547 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-447 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-245 % similar

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

Same formula

1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-1

Elsewhere

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