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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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).