1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid

C10H16O5S — CID 79426211

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C2CS(=O)(=O)CC2O)CCCC1
InChIInChI=1S/C10H16O5S/c11-8-6-16(14,15)5-7(8)10(9(12)13)3-1-2-4-10/h7-8,11H,1-6H2,(H,12,13)
InChIKeyZLFOXFSKBHGYOS-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.04
Rot. Bonds2

About 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid

1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 79426211) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid
PubChem CID79426211
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C2CS(=O)(=O)CC2O)CCCC1
InChIInChI=1S/C10H16O5S/c11-8-6-16(14,15)5-7(8)10(9(12)13)3-1-2-4-10/h7-8,11H,1-6H2,(H,12,13)
InChIKeyZLFOXFSKBHGYOS-UHFFFAOYSA-N
XLogP0.04
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.04
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
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
1-(1,1-Dioxo-1lambda6-thiolan-3-yl)cyclopentane-1-carboxylic acid
CID 62738864
2-(1,1-Dioxothiolan-3-yl)-5-(oxolan-2-yl)pentanoic acid
CID 65162424
3-(Cyclopentylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 78991851
1,1-Dioxo-3-(oxolan-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991891
2-(1,1-Dioxothiolan-3-yl)-2-(2-hydroxycycloheptyl)acetic acid
CID 79418015
2-(1,1-Dioxothiolan-3-yl)-2-(2-hydroxycyclopentyl)acetic acid
CID 79418597
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-Cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetic acid
CID 79418832

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid (CID 79426211) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(C2CS(=O)(=O)CC2O)CCCC1.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ZLFOXFSKBHGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5S/c11-8-6-16(14,15)5-7(8)10(9(12)13)3-1-2-4-10/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79426211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).