2-methyl-3-methylsulfinylpropanoic acid

C5H10O3S — CID 18731932

IUPAC2-methyl-3-methylsulfinylpropanoic acid
SMILESCC(CS(C)=O)C(=O)O
InChIInChI=1S/C5H10O3S/c1-4(5(6)7)3-9(2)8/h4H,3H2,1-2H3,(H,6,7)
InChIKeyGMUYWEFEKTWXQE-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.09
Rot. Bonds3

About 2-methyl-3-methylsulfinylpropanoic acid

2-methyl-3-methylsulfinylpropanoic acid (PubChem CID 18731932) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methyl-3-methylsulfinylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-methylsulfinylpropanoic acid
PubChem CID18731932
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-methyl-3-methylsulfinylpropanoic acid
SMILESCC(CS(C)=O)C(=O)O
InChIInChI=1S/C5H10O3S/c1-4(5(6)7)3-9(2)8/h4H,3H2,1-2H3,(H,6,7)
InChIKeyGMUYWEFEKTWXQE-UHFFFAOYSA-N
XLogP0.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylthio)propanoic acid
CID 563
3-(Acetylthio)-2-methylpropanoic acid
CID 118073
Sulfonium, (2-carboxyethyl)dimethyl-
CID 23737
3-(Methylsulfonyl)propanoic acid
CID 120308
1-Oxo-1lambda4-thietane-3-carboxylic acid
CID 23270603
D-beta-acetylthioisobutyric acid
CID 2724506
3-(tert-Butylsulfanyl)propanoic acid
CID 458298
2-(Methanesulfinyl)-2-methylpropanoic acid
CID 199084
3-Methanesulfonyl-2,2-dimethylpropanoic acid
CID 220247
3-(2-Methylpropanesulfonyl)propanoic acid
CID 24710331
3-[(2-Methylpropyl)sulfanyl]propanoic acid
CID 560597
2-Methyl-3-(methylsulfanyl)propanoic acid
CID 13694415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfinylpropanoic acid?
The IUPAC name of 2-methyl-3-methylsulfinylpropanoic acid (CID 18731932) is 2-methyl-3-methylsulfinylpropanoic acid.
What is the SMILES notation for 2-methyl-3-methylsulfinylpropanoic acid?
The canonical SMILES for 2-methyl-3-methylsulfinylpropanoic acid is CC(CS(C)=O)C(=O)O.
What is the InChIKey of 2-methyl-3-methylsulfinylpropanoic acid?
The InChIKey is GMUYWEFEKTWXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4(5(6)7)3-9(2)8/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of 2-methyl-3-methylsulfinylpropanoic acid?
2-methyl-3-methylsulfinylpropanoic acid has a molecular weight of 150.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfinylpropanoic acid is sourced from PubChem (CID 18731932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).