(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol

C8H15NO — CID 55281900

IUPAC(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
SMILESN[C@@H]1C2CCC(CC2)[C@H]1O
InChIInChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8-/m1/s1
InChIKeyQFDAEESARGPBBO-DWYQZRHDSA-N
MW141.21 g/mol
LogP0.49
Rot. Bonds

About (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol

(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol (PubChem CID 55281900) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
PubChem CID55281900
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol
SMILESN[C@@H]1C2CCC(CC2)[C@H]1O
InChIInChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8-/m1/s1
InChIKeyQFDAEESARGPBBO-DWYQZRHDSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032
trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
CID 98069750
(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
CID 15148369
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(1R,2R,3S,4R)-5-aminocyclopentane-1,2,3,4-tetrol
CID 42628065
2,4-diaminocyclohexane-1,3-diol
CID 14760875
3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
CID 20804981
2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
(2S)-bicyclo[3.2.2]nonan-2-ol
CID 10749279
(1R,4S,5R,8R)-5-aminobicyclo[6.1.0]nonan-4-ol
CID 125454997
cyclopropanamine;cyclopropanol
CID 67718225

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol (CID 55281900) is (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol is N[C@@H]1C2CCC(CC2)[C@H]1O.
What is the InChIKey of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
The InChIKey is QFDAEESARGPBBO-DWYQZRHDSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-5-1-3-6(4-2-5)8(7)10/h5-8,10H,1-4,9H2/t5?,6?,7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol?
(2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-aminobicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 55281900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).