chempirical

cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole

C11H20N2O2CAS 250275-15-1212.29 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
1.07Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
250275-15-1
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CNC[C@H]2C1
InChIKey
FYUVLZRRIRGSTE-DTORHVGOSA-N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+

Weigh it out

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

Work with cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole

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.

Hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester141449-85-6Stereo not defined

Similar compounds

cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate146231-54-166 % similar N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole148404-28-866 % similar tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-562 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-262 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-961 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-060 % similar 1-N-Boc-3-hydroxyazetidine141699-55-060 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-660 % 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 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-1 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 Brivaracetam357336-20-0

Elsewhere

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