chempirical

1-Boc-pyrrolidine-2,4-dione

C9H13NO4CAS 182352-59-6199.21 g/mol

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OONOO
AmideCarbamateKetoneLactam

Properties

Molecular formula
C9H13NO4
Molar mass
199.21 g/mol
Exact mass
199.0845 Da
logP
0.72Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
182352-59-6
SMILES
CC(C)(C)OC(=O)N1CC(=O)CC1=O
InChIKey
JWMCWFLHZICZQD-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4-5H2,1-3H3

Weigh it out

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Names and synonyms

1 names
  • tert-Butyl 2,4-dioxopyrrolidine-1-carboxylate

Work with 1-Boc-pyrrolidine-2,4-dione

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

tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-456 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-654 % similar tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-953 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-349 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-546 % similar 1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate166410-05-545 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-944 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-143 % similar

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

Elsewhere

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