3-(2-methoxyethylsulfinyl)butanoic acid

C7H14O4S — CID 61301794

IUPAC3-(2-methoxyethylsulfinyl)butanoic acid
SMILESCOCCS(=O)C(C)CC(=O)O
InChIInChI=1S/C7H14O4S/c1-6(5-7(8)9)12(10)4-3-11-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyBBBGWKBXLPUFAO-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.24
Rot. Bonds6

About 3-(2-methoxyethylsulfinyl)butanoic acid

3-(2-methoxyethylsulfinyl)butanoic acid (PubChem CID 61301794) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfinyl)butanoic acid.

Molecular Properties

Compound Name3-(2-methoxyethylsulfinyl)butanoic acid
PubChem CID61301794
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name3-(2-methoxyethylsulfinyl)butanoic acid
SMILESCOCCS(=O)C(C)CC(=O)O
InChIInChI=1S/C7H14O4S/c1-6(5-7(8)9)12(10)4-3-11-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyBBBGWKBXLPUFAO-UHFFFAOYSA-N
XLogP0.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenyl)ethylsulfinyl]butanoic acid
CID 66115946
3-octylsulfinylbutanoic acid
CID 66114161
3-(3-phenylpropylsulfinyl)butanoic acid
CID 66114813
3-(2-tert-butylsulfonylethylsulfinyl)butanoic acid
CID 106728544
2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine
CID 81187492
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
3-(cyanomethylsulfinyl)butanoic acid
CID 66115066
N-ethyl-4-(2-methoxyethylsulfinyl)pentan-2-amine
CID 64704822
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
CID 64704821
3-(2-pyridin-2-ylethylsulfinyl)butanoic acid
CID 66115725
3-[(2-methoxyphenyl)methylsulfinyl]butanoic acid
CID 66114815
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfinyl)butanoic acid?
The IUPAC name of 3-(2-methoxyethylsulfinyl)butanoic acid (CID 61301794) is 3-(2-methoxyethylsulfinyl)butanoic acid.
What is the SMILES notation for 3-(2-methoxyethylsulfinyl)butanoic acid?
The canonical SMILES for 3-(2-methoxyethylsulfinyl)butanoic acid is COCCS(=O)C(C)CC(=O)O.
What is the InChIKey of 3-(2-methoxyethylsulfinyl)butanoic acid?
The InChIKey is BBBGWKBXLPUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-6(5-7(8)9)12(10)4-3-11-2/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 3-(2-methoxyethylsulfinyl)butanoic acid?
3-(2-methoxyethylsulfinyl)butanoic acid has a molecular weight of 194.25 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfinyl)butanoic acid is sourced from PubChem (CID 61301794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).