chempirical

1-O-tert-Butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate

C14H20N2O6CAS 3392-10-7312.32 g/mol

Open in Covalent MOL file
OONOONOO
AmideCarbamateLactam

Properties

Molecular formula
C14H20N2O6
Molar mass
312.32 g/mol
Exact mass
312.1321 Da
Melting point
135–136 °C
logP
0.99Crippen estimate
Polar surface area
93.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3392-10-7
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON1C(=O)CCC1=O
InChIKey
DICWIJISMKZDDY-VIFPVBQESA-N
InChI
InChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3/t9-/m0/s1

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Names and synonyms

6 names
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-(2,5-dioxo-1-pyrrolidinyl) ester, (2S)-
  • Succinimide, N-[(1-carboxy-L-prolyl)oxy]-, tert-butyl ester
  • 1-Pyrrolidinecarboxylic acid, 2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-, 1,1-dimethylethyl ester, (S)-
  • 1-Pyrrolidinecarboxylic acid, 2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-, 1,1-dimethylethyl ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl ester, succinimido deriv., L-
  • N-Boc-L-proline N-hydroxysuccinimidyl ester

Work with 1-O-tert-Butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-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-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-356 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-954 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-752 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-951 % similar 2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate16881-39-351 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-850 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-150 % similar 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-049 % similar

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

Same formula

1,1-Dimethylethyl (2R)-2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-pyrrolidinecarboxylate102185-34-2 (-)-Nicotine hydrogen (+)-tartrate2624-48-8 (-)-Nicotine hydrogen (+)-tartrate65-31-6

Elsewhere

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