2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid

C9H16O4S — CID 65166191

IUPAC2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
SMILESCC(C(=O)O)S(=O)CCC1CCCO1
InChIInChI=1S/C9H16O4S/c1-7(9(10)11)14(12)6-4-8-3-2-5-13-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyCZMJLOGPVRGODF-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.78
Rot. Bonds5

About 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid

2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid (PubChem CID 65166191) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
PubChem CID65166191
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
SMILESCC(C(=O)O)S(=O)CCC1CCCO1
InChIInChI=1S/C9H16O4S/c1-7(9(10)11)14(12)6-4-8-3-2-5-13-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyCZMJLOGPVRGODF-UHFFFAOYSA-N
XLogP0.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The IUPAC name of 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid (CID 65166191) is 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid is CC(C(=O)O)S(=O)CCC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The InChIKey is CZMJLOGPVRGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-7(9(10)11)14(12)6-4-8-3-2-5-13-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid has a molecular weight of 220.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid is sourced from PubChem (CID 65166191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).