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

Hazards

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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,1-Dimethylethyl (2R)-2-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-1-pyrrolidinecarboxylate102185-34-2Enantiomer

Similar compounds

Boc-L-pro-ome59936-29-768 % similar Boc-D-pro-ome73323-65-668 % similar 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-063 % similar Boc-L-proline15761-39-459 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-159 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-059 % similar D-1-N-Boc-prolinamide70138-72-659 % similar Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Nicotine hydrogen (+)-tartrate2624-48-8 (-)-Nicotine hydrogen (+)-tartrate65-31-6

Elsewhere

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