chempirical

1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

C12H19NO5CAS 146256-98-6257.29 g/mol

Open in Covalent MOL file
OONOOO
CarbamateEsterKetone

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 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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

Names and synonyms

2 names
  • 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-pyrrolidinedicarboxylate
  • 1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester

Work with 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

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-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate141642-82-265 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-260 % similar Ethyl N-cbz-4-oxopyrrolidine-3-carboxylate51814-19-859 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-459 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-358 % similar tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-852 % 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 1-Boc-D-pyroglutamic acid ethyl ester144978-35-8 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate161491-24-3 1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-8

Elsewhere

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