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

C₁₀H₁₇NO₂CAS 135908-33-7183.25 g/mol

Open in Covalent MOL file

Ester Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

Weigh it out

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

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

1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-958 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-250 % similar 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate83249-10-944 % similar α-Aminoisobutyric acid methyl ester hydrochloride15028-41-842 % similar Dimethyl diethylmalonate27132-23-642 % similar Methyl pivalate598-98-141 % similar 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-641 % similar Trimethyl citrate1587-20-841 % similar

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

Same formula

1,1-Dimethylethyl 3-methylene-1-pyrrolidinecarboxylate114214-71-0 4-Diethylamino-2-butynyl acetate22396-77-6

Elsewhere

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