chempirical

Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester

C11H20N2O2CAS 185693-02-1212.29 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C11H20N2O2
Molar mass
212.29 g/mol
Exact mass
212.1525 Da
logP
1.22Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
185693-02-1
SMILES
CC(C)(C)OC(=O)N1CCC2C1CNC2
InChIKey
OIKZNKIPPFFTKA-UHFFFAOYSA-N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-8-6-12-7-9(8)13/h8-9,12H,4-7H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate

Work with Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester

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 2-methylpiperazine-1-carboxylate120737-78-252 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-552 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-352 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-951 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-851 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-750 % similar tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate180975-66-050 % similar Boc-D-azetidine-2-carboxylic acid228857-58-750 % similar

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

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4 (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane127199-45-5 Hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1 Brivaracetam357336-20-0

Elsewhere

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