2-(2-methoxyethylsulfonyl)butanoic acid

C7H14O5S — CID 43808940

IUPAC2-(2-methoxyethylsulfonyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)(=O)CCOC
InChIInChI=1S/C7H14O5S/c1-3-6(7(8)9)13(10,11)5-4-12-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyFPTCUDOPNUNNRI-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.09
Rot. Bonds6

About 2-(2-methoxyethylsulfonyl)butanoic acid

2-(2-methoxyethylsulfonyl)butanoic acid (PubChem CID 43808940) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)butanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)butanoic acid
PubChem CID43808940
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name2-(2-methoxyethylsulfonyl)butanoic acid
SMILESCCC(C(=O)O)S(=O)(=O)CCOC
InChIInChI=1S/C7H14O5S/c1-3-6(7(8)9)13(10,11)5-4-12-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyFPTCUDOPNUNNRI-UHFFFAOYSA-N
XLogP-0.09
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)butanoic acid?
The IUPAC name of 2-(2-methoxyethylsulfonyl)butanoic acid (CID 43808940) is 2-(2-methoxyethylsulfonyl)butanoic acid.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)butanoic acid?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)butanoic acid is CCC(C(=O)O)S(=O)(=O)CCOC.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)butanoic acid?
The InChIKey is FPTCUDOPNUNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S/c1-3-6(7(8)9)13(10,11)5-4-12-2/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methoxyethylsulfonyl)butanoic acid?
2-(2-methoxyethylsulfonyl)butanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)butanoic acid is sourced from PubChem (CID 43808940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).