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

C₁₁H₂₀N₂O₂CAS 185693-02-1212.29 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: 1.22Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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

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

(S)-1-Boc-2-isopropylpiperazine674792-05-362 % similar 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 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-651 % 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

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 octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-6 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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