trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol

C9H19NO2 — CID 102733575

IUPACtrans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
SMILESCC(O)CCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO2/c1-7(11)5-6-10-8-3-2-4-9(8)12/h7-12H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyJHXXNWYJEZAGMU-CFCGPWAMSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds4

About trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol (PubChem CID 102733575) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
PubChem CID102733575
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametrans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
SMILESCC(O)CCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO2/c1-7(11)5-6-10-8-3-2-4-9(8)12/h7-12H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyJHXXNWYJEZAGMU-CFCGPWAMSA-N
XLogP0.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
trans-(1R,2R)-2-(3-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731720
trans-(1R,2R)-2-[(5-hydroxy-4-methylpentyl)amino]cyclopentan-1-ol
CID 106159975
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol (CID 102733575) is trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol is CC(O)CCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol?
The InChIKey is JHXXNWYJEZAGMU-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(11)5-6-10-8-3-2-4-9(8)12/h7-12H,2-6H2,1H3/t7?,8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).