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

C9H16O5S — CID 65161065

IUPAC2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CCC1CCCO1
InChIInChI=1S/C9H16O5S/c1-7(9(10)11)15(12,13)6-4-8-3-2-5-14-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyLDJJLEDOISHXBD-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.44
Rot. Bonds5

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

2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid (PubChem CID 65161065) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
PubChem CID65161065
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CCC1CCCO1
InChIInChI=1S/C9H16O5S/c1-7(9(10)11)15(12,13)6-4-8-3-2-5-14-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyLDJJLEDOISHXBD-UHFFFAOYSA-N
XLogP0.44
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
CID 66113895
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
CID 81188285
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid?
The IUPAC name of 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid (CID 65161065) is 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid is CC(C(=O)O)S(=O)(=O)CCC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid?
The InChIKey is LDJJLEDOISHXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-7(9(10)11)15(12,13)6-4-8-3-2-5-14-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid?
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid has a molecular weight of 236.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid is sourced from PubChem (CID 65161065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).