trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol

C9H19NO2 — CID 102733097

IUPACtrans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
SMILESCCC(CO)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO2/c1-2-7(6-11)10-8-4-3-5-9(8)12/h7-12H,2-6H2,1H3/t7?,8-,9-/m0/s1
InChIKeyMJBUPHYCYLFORX-NPPUSCPJSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds4

About trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol (PubChem CID 102733097) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
PubChem CID102733097
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametrans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
SMILESCCC(CO)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO2/c1-2-7(6-11)10-8-4-3-5-9(8)12/h7-12H,2-6H2,1H3/t7?,8-,9-/m0/s1
InChIKeyMJBUPHYCYLFORX-NPPUSCPJSA-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-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
CID 102733490
4-(1-hydroxybutan-2-ylamino)oxolan-3-ol
CID 60910255
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
CID 115891358
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol
CID 103922588
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol (CID 102733097) is trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol is CCC(CO)N[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol?
The InChIKey is MJBUPHYCYLFORX-NPPUSCPJSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-7(6-11)10-8-4-3-5-9(8)12/h7-12H,2-6H2,1H3/t7?,8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)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-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).