2-(2-methoxyethylsulfonyl)acetic acid

C5H10O5S — CID 24706954

IUPAC2-(2-methoxyethylsulfonyl)acetic acid
SMILESCOCCS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H10O5S/c1-10-2-3-11(8,9)4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyFHKVYASZVLDEGU-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.87
Rot. Bonds5

About 2-(2-methoxyethylsulfonyl)acetic acid

2-(2-methoxyethylsulfonyl)acetic acid (PubChem CID 24706954) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)acetic acid
PubChem CID24706954
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name2-(2-methoxyethylsulfonyl)acetic acid
SMILESCOCCS(=O)(=O)CC(=O)O
InChIInChI=1S/C5H10O5S/c1-10-2-3-11(8,9)4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyFHKVYASZVLDEGU-UHFFFAOYSA-N
XLogP-0.87
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)acetic acid?
The IUPAC name of 2-(2-methoxyethylsulfonyl)acetic acid (CID 24706954) is 2-(2-methoxyethylsulfonyl)acetic acid.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)acetic acid?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)acetic acid is COCCS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)acetic acid?
The InChIKey is FHKVYASZVLDEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S/c1-10-2-3-11(8,9)4-5(6)7/h2-4H2,1H3,(H,6,7).
What are the key properties of 2-(2-methoxyethylsulfonyl)acetic acid?
2-(2-methoxyethylsulfonyl)acetic acid has a molecular weight of 182.20 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)acetic acid is sourced from PubChem (CID 24706954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).