2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol

C8H17NO2 — CID 131230127

IUPAC2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
SMILESOCCN[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C8H17NO2/c10-5-4-9-8-3-1-2-7(8)6-11/h7-11H,1-6H2/t7-,8-/m1/s1
InChIKeyVDIPISXPZBVIKP-HTQZYQBOSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds4

About 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol

2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol (PubChem CID 131230127) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
PubChem CID131230127
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
SMILESOCCN[C@@H]1CCC[C@@H]1CO
InChIInChI=1S/C8H17NO2/c10-5-4-9-8-3-1-2-7(8)6-11/h7-11H,1-6H2/t7-,8-/m1/s1
InChIKeyVDIPISXPZBVIKP-HTQZYQBOSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methanol
CID 106359409
[2-(2-ethylsulfanylethylamino)cyclopentyl]methanol
CID 104668665
3-[[2-(hydroxymethyl)cyclohexyl]amino]propanenitrile
CID 106361139
[2-[2-(dimethylamino)ethylamino]cyclohexyl]methanol
CID 104934564
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
[2-(2-propylsulfonylethylamino)cyclopentyl]methanol
CID 106360883
[2-(3,3-diethoxypropylamino)cyclopentyl]methanol
CID 114178624
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784
[2-[[(E)-but-2-enyl]amino]cyclopentyl]methanol
CID 106360609
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol?
The IUPAC name of 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol (CID 131230127) is 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol?
The canonical SMILES for 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol is OCCN[C@@H]1CCC[C@@H]1CO.
What is the InChIKey of 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol?
The InChIKey is VDIPISXPZBVIKP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2/c10-5-4-9-8-3-1-2-7(8)6-11/h7-11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol?
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol has a molecular weight of 159.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol is sourced from PubChem (CID 131230127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).