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

C11H18O5S — CID 79429343

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H18O5S/c1-7-2-3-11(4-7,10(13)14)8-5-17(15,16)6-9(8)12/h7-9,12H,2-6H2,1H3,(H,13,14)
InChIKeyUPYDYUPKYONCHA-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.28
Rot. Bonds2

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

1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid (PubChem CID 79429343) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid
PubChem CID79429343
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H18O5S/c1-7-2-3-11(4-7,10(13)14)8-5-17(15,16)6-9(8)12/h7-9,12H,2-6H2,1H3,(H,13,14)
InChIKeyUPYDYUPKYONCHA-UHFFFAOYSA-N
XLogP0.28
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid (CID 79429343) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid is CC1CCC(C(=O)O)(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is UPYDYUPKYONCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-7-2-3-11(4-7,10(13)14)8-5-17(15,16)6-9(8)12/h7-9,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.28, 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)-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79429343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).