chempirical

tert-Butyl succinimidyl carbonate

C9H13NO5CAS 13139-12-3215.20 g/mol

Open in Covalent MOL file
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AmideCarbonateLactam

Properties

Molecular formula
C9H13NO5
Molar mass
215.20 g/mol
Exact mass
215.0794 Da
Melting point
98–100 °C
logP
1.00Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
13139-12-3
SMILES
CC(C)(C)OC(=O)ON1C(=O)CCC1=O
InChIKey
VTGFSVGZCYYHLO-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3

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Names and synonyms

6 names
  • Carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester
  • Succinimide, N-(carboxyoxy)-, tert-butyl ester
  • 2,5-Pyrrolidinedione, 1-[[(1,1-dimethylethoxy)carbonyl]oxy]-
  • Carbonic acid, mono-tert-butyl ester, succinimido deriv.
  • N-(tert-Butoxycarbonyloxy)succinimide
  • 1-[(tert-Butoxycarbonyl)oxy]pyrrolidine-2,5-dione

Work with tert-Butyl succinimidyl carbonate

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

Disuccinimidyl carbonate74124-79-162 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-451 % similar N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-250 % similar tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide3392-05-047 % similar 2,5-Dioxo-1-pyrrolidinyl [2-(trimethylsilyl)ethyl] carbonate78269-85-946 % similar Cyclopentyl 2,5-dioxo-1-pyrrolidinyl carbonate128595-07-346 % similar 1,1-Dimethylethyl (2R)-2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-pyrrolidinecarboxylate102185-34-245 % similar 1-O-tert-Butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate3392-10-745 % similar

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

Elsewhere

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