trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol

C11H19NO2 — CID 102733763

IUPACtrans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NC1CC2CCC1O2
InChIInChI=1S/C11H19NO2/c13-10-3-1-2-8(10)12-9-6-7-4-5-11(9)14-7/h7-13H,1-6H2/t7?,8-,9?,10-,11?/m1/s1
InChIKeyDJJSXLGWDIYDFJ-WYOMHHLLSA-N
MW197.28 g/mol
LogP0.81
Rot. Bonds2

About trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol (PubChem CID 102733763) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
PubChem CID102733763
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametrans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NC1CC2CCC1O2
InChIInChI=1S/C11H19NO2/c13-10-3-1-2-8(10)12-9-6-7-4-5-11(9)14-7/h7-13H,1-6H2/t7?,8-,9?,10-,11?/m1/s1
InChIKeyDJJSXLGWDIYDFJ-WYOMHHLLSA-N
XLogP0.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715919
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80714777
(3S,4R)-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]oxolan-3-ol
CID 122236870
N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 130679057
2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 136581626
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 80716268
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol (CID 102733763) is trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1NC1CC2CCC1O2.
What is the InChIKey of trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol?
The InChIKey is DJJSXLGWDIYDFJ-WYOMHHLLSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-3-1-2-8(10)12-9-6-7-4-5-11(9)14-7/h7-13H,1-6H2/t7?,8-,9?,10-,11?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).