(2S)-2-methyl-3-methylsulfinylpropanoic acid

C5H10O3S — CID 59886318

IUPAC(2S)-2-methyl-3-methylsulfinylpropanoic acid
SMILESC[C@H](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)/t4-,9?/m1/s1
InChIKeyGMUYWEFEKTWXQE-UGZZBTRQSA-N
MW150.20 g/mol
LogP0.09
Rot. Bonds3

About (2S)-2-methyl-3-methylsulfinylpropanoic acid

(2S)-2-methyl-3-methylsulfinylpropanoic acid (PubChem CID 59886318) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (2S)-2-methyl-3-methylsulfinylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-methylsulfinylpropanoic acid
PubChem CID59886318
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(2S)-2-methyl-3-methylsulfinylpropanoic acid
SMILESC[C@H](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)/t4-,9?/m1/s1
InChIKeyGMUYWEFEKTWXQE-UGZZBTRQSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-methylsulfinylpropanoic acid?
The IUPAC name of (2S)-2-methyl-3-methylsulfinylpropanoic acid (CID 59886318) is (2S)-2-methyl-3-methylsulfinylpropanoic acid.
What is the SMILES notation for (2S)-2-methyl-3-methylsulfinylpropanoic acid?
The canonical SMILES for (2S)-2-methyl-3-methylsulfinylpropanoic acid is C[C@H](CS(C)=O)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-methylsulfinylpropanoic acid?
The InChIKey is GMUYWEFEKTWXQE-UGZZBTRQSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4(5(6)7)3-9(2)8/h4H,3H2,1-2H3,(H,6,7)/t4-,9?/m1/s1.
What are the key properties of (2S)-2-methyl-3-methylsulfinylpropanoic acid?
(2S)-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 (2S)-2-methyl-3-methylsulfinylpropanoic acid is sourced from PubChem (CID 59886318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).