2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid

C10H18O4S — CID 65166400

IUPAC2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
SMILESCC(CS(=O)CCC1CCCO1)C(=O)O
InChIInChI=1S/C10H18O4S/c1-8(10(11)12)7-15(13)6-4-9-3-2-5-14-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyQQQGSWDTMJIXFE-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.02
Rot. Bonds6

About 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid

2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid (PubChem CID 65166400) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
PubChem CID65166400
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
SMILESCC(CS(=O)CCC1CCCO1)C(=O)O
InChIInChI=1S/C10H18O4S/c1-8(10(11)12)7-15(13)6-4-9-3-2-5-14-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyQQQGSWDTMJIXFE-UHFFFAOYSA-N
XLogP1.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(oxan-2-ylmethylsulfinyl)propanoic acid
CID 64914351
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948
2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
CID 81188308
2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine
CID 81186546
4-methyl-2-[3-(oxolan-2-yl)propylamino]pentanoic acid
CID 65162090
3-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851955
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]propanoic acid
CID 64913956
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid (CID 65166400) is 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid is CC(CS(=O)CCC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The InChIKey is QQQGSWDTMJIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(10(11)12)7-15(13)6-4-9-3-2-5-14-9/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid has a molecular weight of 234.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid is sourced from PubChem (CID 65166400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).