2-hydroxy-4-methylsulfanylbutanoic acid

C5H10O3S — CID 11427

IUPAC2-hydroxy-4-methylsulfanylbutanoic acid
SMILESCSCCC(O)C(=O)O
InChIInChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyONFOSYPQQXJWGS-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.19
Rot. Bonds4

About 2-hydroxy-4-methylsulfanylbutanoic acid

2-hydroxy-4-methylsulfanylbutanoic acid (PubChem CID 11427) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-hydroxy-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methylsulfanylbutanoic acid
PubChem CID11427
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-hydroxy-4-methylsulfanylbutanoic acid
SMILESCSCCC(O)C(=O)O
InChIInChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyONFOSYPQQXJWGS-UHFFFAOYSA-N
XLogP0.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Calcium bis(2-hydroxy-4-(methylthio)butyrate)
CID 107344
4-Dimethylsulfonio-2-hydroxybutyrate
CID 22598571
Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate
CID 10130325
(2R)-2-hydroxy-4-(methylsulfanyl)butanoate
CID 38988827
Zinc bis[2-hydroxy-4-(methylsulfanyl)butanoate]
CID 10428815
Bis[2-(hydroxy-kappaO)-4-(methylthio)butanoato-kappaO]copper
CID 16747768
2-(Acetyloxy)-4-(methylsulfanyl)butanoic acid
CID 3074728
2-Hydroxy-3-(methylsulfanyl)propanoic acid
CID 15647667
Desmeninol, (S)-
CID 9898876
2-Hydroxy-4-methanesulfinylbutanoic acid
CID 13120903
Ethyl 2-hydroxy-4-(methylsulfanyl)butanoate
CID 10397359
2-Methoxy-4-(methylsulfanyl)butanoic acid
CID 71376312

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-hydroxy-4-methylsulfanylbutanoic acid (CID 11427) is 2-hydroxy-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-hydroxy-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-hydroxy-4-methylsulfanylbutanoic acid is CSCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-methylsulfanylbutanoic acid?
The InChIKey is ONFOSYPQQXJWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-hydroxy-4-methylsulfanylbutanoic acid?
2-hydroxy-4-methylsulfanylbutanoic acid has a molecular weight of 150.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 11427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).