3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid

C11H20O5S — CID 66113895

IUPAC3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
SMILESCC(CC(=O)O)S(=O)(=O)CCCC1CCCO1
InChIInChI=1S/C11H20O5S/c1-9(8-11(12)13)17(14,15)7-3-5-10-4-2-6-16-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyZVGLNQVPTPHGBV-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.22
Rot. Bonds7

About 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid

3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid (PubChem CID 66113895) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
PubChem CID66113895
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
SMILESCC(CC(=O)O)S(=O)(=O)CCCC1CCCO1
InChIInChI=1S/C11H20O5S/c1-9(8-11(12)13)17(14,15)7-3-5-10-4-2-6-16-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyZVGLNQVPTPHGBV-UHFFFAOYSA-N
XLogP1.22
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
4-(oxolan-2-ylmethylsulfonyl)pentan-2-one
CID 106497123
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
(3S)-3-amino-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 67894474
7-(oxolan-2-yl)heptanoic acid
CID 174977398
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 106512524
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
CID 81188285
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid?
The IUPAC name of 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid (CID 66113895) is 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid.
What is the SMILES notation for 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid?
The canonical SMILES for 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid is CC(CC(=O)O)S(=O)(=O)CCCC1CCCO1.
What is the InChIKey of 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid?
The InChIKey is ZVGLNQVPTPHGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-9(8-11(12)13)17(14,15)7-3-5-10-4-2-6-16-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid?
3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid has a molecular weight of 264.34 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid is sourced from PubChem (CID 66113895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).