tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate

C₁₁H₂₀N₂O₂CAS 141449-85-6212.29 g/mol

Open in Covalent MOL file

Carbamate Secondary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

141449-85-6

SMILES

CC(C)(C)OC(=O)N1CC2CNCC2C1

InChIKey

FYUVLZRRIRGSTE-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

10 names

Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
3-Boc-3,7-diazabicyclo[3.3.0]octane
Hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid tert-butyl ester
2-(tert-Butoxycarbonyl)hexahydropyrrolo[3,4-c]pyrrole
N-(tert-Butoxycarbonyl)-3,7-diazabicyclo[3.3.0]octane
tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
tert-Butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylic acid tert-butyl ester
2-Boc-Hexahydropyrrolo[3,4-c]pyrrole

Work with tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate

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.

cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1Defined stereoisomer

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-Boc-3-methylaminoazetidine454703-20-961 % 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

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)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate127199-45-5 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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