cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

C₁₂H₁₉NO₃CAS 146231-54-1225.29 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₂H₁₉NO₃
Molar mass: 225.29 g/mol
Exact mass: 225.1365 Da
logP: 1.83Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

146231-54-1

SMILES

CC(C)(C)OC(=O)N1C[C@H]2CC(=O)C[C@H]2C1

InChIKey

GGNDIMLSSMWKDR-DTORHVGOSA-N

InChI

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-9H,4-7H2,1-3H3/t8-,9+

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Names and synonyms

1 names

cis-5-Oxohexahydrocyclopenta[C]pyrrole-2(1H)-carboxylic acid tert-butyl ester

Work with cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-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

Similar compounds

Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-666 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-262 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-461 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-060 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-958 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-357 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-057 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-957 % similar

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

Same formula

N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole148404-28-8 Terbutaline23031-25-6

Elsewhere

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