trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol

C10H21NO2 — CID 102733975

IUPACtrans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
SMILESCC(O)CC(C)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-7(6-8(2)12)11-9-4-3-5-10(9)13/h7-13H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1
InChIKeyHEEZWBOZLPRFFF-YDYPAMBWSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds4

About trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol (PubChem CID 102733975) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
PubChem CID102733975
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametrans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
SMILESCC(O)CC(C)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-7(6-8(2)12)11-9-4-3-5-10(9)13/h7-13H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1
InChIKeyHEEZWBOZLPRFFF-YDYPAMBWSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
CID 102731345
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
CID 102733490
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol (CID 102733975) is trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol is CC(O)CC(C)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol?
The InChIKey is HEEZWBOZLPRFFF-YDYPAMBWSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(6-8(2)12)11-9-4-3-5-10(9)13/h7-13H,3-6H2,1-2H3/t7?,8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 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-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).