4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester

C10H17NO2CAS 135908-33-7183.25 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C10H17NO2
Molar mass
183.25 g/mol
Exact mass
183.1259 Da
logP
1.21Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
135908-33-7
SMILES
COC(=O)C12CCC(CC1)(CC2)N
InChIKey
HDIKFAFEMDBXOS-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7,11H2,1H3

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Names and synonyms

1 names
  • Methyl 4-aminobicyclo(2.2.2)octane-1-carboxylate

Work with 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl 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

Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-775 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-958 % similar Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-052 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-250 % similar Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride60421-23-047 % similar Adamantane-1-carboxylic acid methyl ester711-01-347 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-347 % similar Methyl 1-bromocyclopropanecarboxylate96999-01-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 3-methylidenepyrrolidine-1-carboxylate114214-71-0 N-1-Boc-amino-3-cyclopentene193751-54-1 4-Diethylamino-2-butynyl acetate22396-77-6 tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate85838-94-4

Elsewhere

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