chempirical

1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate

C11H20N2O4CAS 129799-15-1244.29 g/mol

Open in Covalent MOL file
OONHNOO
CarbamateEsterSecondary amine

Properties

Molecular formula
C11H20N2O4
Molar mass
244.29 g/mol
Exact mass
244.1423 Da
logP
0.37Crippen estimate
Polar surface area
67.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
129799-15-1
SMILES
COC(=O)C1CNCCN1C(=O)OC(C)(C)C
InChIKey
BRXKHIPPSTYCKO-UHFFFAOYSA-N
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3

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

Names and synonyms

5 names
  • 1,2-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
  • 1-tert-Butoxycarbonyl-2-carbomethoxypiperazine
  • Methyl 1-Boc-2-piperazinecarboxylate
  • 1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate
  • 1-O-tert-Butyl 2-O-methyl piperazine-1,2-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate

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-Boc-2-piperazinecarboxylic acid1214196-85-667 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-261 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-561 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-259 % similar 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-959 % similar 1-Benzyl 2-methyl piperazine-1,2-dicarboxylate126937-43-758 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-456 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-955 % similar

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

Same formula

1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-3 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-2 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-4 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-7

Elsewhere

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