2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid

C11H18O5S — CID 79418597

IUPAC2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid
SMILESO=C(O)C(C1CCS(=O)(=O)C1)C1CCCC1O
InChIInChI=1S/C11H18O5S/c12-9-3-1-2-8(9)10(11(13)14)7-4-5-17(15,16)6-7/h7-10,12H,1-6H2,(H,13,14)
InChIKeyCISJIFUQQPWLED-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.28
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid

2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid (PubChem CID 79418597) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid
PubChem CID79418597
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid
SMILESO=C(O)C(C1CCS(=O)(=O)C1)C1CCCC1O
InChIInChI=1S/C11H18O5S/c12-9-3-1-2-8(9)10(11(13)14)7-4-5-17(15,16)6-7/h7-10,12H,1-6H2,(H,13,14)
InChIKeyCISJIFUQQPWLED-UHFFFAOYSA-N
XLogP0.28
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(2S,3S,4R)-4-hydroxy-3-(8-hydroxyoctyl)-1,1-dioxothiolan-2-yl]heptanoic acid
CID 70624754
7-[4-Hydroxy-3-(3-hydroxyoctyl)-1,1-dioxothiolan-2-yl]heptanoic acid
CID 70624755
7-[(2S,3S,4R)-4-hydroxy-3-(8-hydroxyoct-1-ynyl)-1,1-dioxothiolan-2-yl]heptanoic acid
CID 70624769
2-(1,1-Dioxothiolan-3-yl)-3-(oxolan-2-yl)propanoic acid
CID 55091625
3-Cyclopentyl-2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 61343937
2-(1,1-Dioxothiolan-3-yl)-5-(oxolan-2-yl)pentanoic acid
CID 65162424
1,1-Dioxo-3-(oxolan-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991891
2-(4-Hydroxy-1,1-dioxothiolan-3-yl)cycloheptan-1-one
CID 79416681
2-(1,1-Dioxothiolan-3-yl)-2-(2-hydroxycycloheptyl)acetic acid
CID 79418015
2-(1,1-Dioxothiolan-3-yl)-7-hydroxyheptanoic acid
CID 79418676
2-(1,1-Dioxothiolan-3-yl)-2-(2-hydroxycyclohexyl)acetic acid
CID 79418677
2-(1,1-Dioxothiolan-3-yl)-3-(1-hydroxycyclohexyl)propanoic acid
CID 79418756

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid (CID 79418597) is 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid is O=C(O)C(C1CCS(=O)(=O)C1)C1CCCC1O.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid?
The InChIKey is CISJIFUQQPWLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c12-9-3-1-2-8(9)10(11(13)14)7-4-5-17(15,16)6-7/h7-10,12H,1-6H2,(H,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid?
2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid has a molecular weight of 262.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid is sourced from PubChem (CID 79418597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).