(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol

C7H14O3 — CID 57379190

IUPAC(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
SMILESC[C@H](O)[C@H]1CC[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O3/c1-4(8)5-2-3-6(9)7(5)10/h4-10H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyWDPDEDAADZPXQK-WNJXEPBRSA-N
MW146.19 g/mol
LogP-0.50
Rot. Bonds1

About (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol

(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol (PubChem CID 57379190) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
PubChem CID57379190
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
SMILESC[C@H](O)[C@H]1CC[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O3/c1-4(8)5-2-3-6(9)7(5)10/h4-10H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyWDPDEDAADZPXQK-WNJXEPBRSA-N
XLogP-0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylcyclopentan-1,2-diol
CID 33945
cis-(1S,2R)-4-propylcyclopentane-1,2-diol
CID 52916274
(1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 101930312
(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
CID 155804433
Salpantiol
CID 132518
(1R,2S,3S,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10261229
cis-1-Ethylcyclopentan-1,2-diol
CID 12400484
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
CID 58680073
(1R,2S,3S,5S)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
CID 117757235
(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 158007265
(1S,2S,3S,4S)-4-(hydroxymethyl)cyclopentane-1,2,3-triol;molecular hydrogen
CID 155387723
cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol
CID 11137206

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol (CID 57379190) is (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol is C[C@H](O)[C@H]1CC[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol?
The InChIKey is WDPDEDAADZPXQK-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H14O3/c1-4(8)5-2-3-6(9)7(5)10/h4-10H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol?
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol is sourced from PubChem (CID 57379190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).