3-hydroxy-4-methylsulfanylbutanoic acid

C5H10O3S — CID 82771148

IUPAC3-hydroxy-4-methylsulfanylbutanoic acid
SMILESCSCC(O)CC(=O)O
InChIInChI=1S/C5H10O3S/c1-9-3-4(6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyXWHUSRZUCDHYPZ-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.19
Rot. Bonds4

About 3-hydroxy-4-methylsulfanylbutanoic acid

3-hydroxy-4-methylsulfanylbutanoic acid (PubChem CID 82771148) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 3-hydroxy-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylsulfanylbutanoic acid
PubChem CID82771148
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name3-hydroxy-4-methylsulfanylbutanoic acid
SMILESCSCC(O)CC(=O)O
InChIInChI=1S/C5H10O3S/c1-9-3-4(6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyXWHUSRZUCDHYPZ-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

3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
3-hydroxy-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107746256
3-methyl-4-methylsulfanylbutanoic acid
CID 59946362
3-hydroxy-4-(2-methoxyethylsulfanyl)butanoic acid
CID 82775924
3-hydroxypentanoic acid;methanol
CID 174973747
4-(2-aminoethylsulfanyl)-3-hydroxybutanoic acid
CID 82777991
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
CID 59794223
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
3-hydroxyhexanoic acid;methane
CID 175209406
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylsulfanylbutanoic acid?
The IUPAC name of 3-hydroxy-4-methylsulfanylbutanoic acid (CID 82771148) is 3-hydroxy-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-methylsulfanylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-methylsulfanylbutanoic acid is CSCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-methylsulfanylbutanoic acid?
The InChIKey is XWHUSRZUCDHYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-9-3-4(6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-hydroxy-4-methylsulfanylbutanoic acid?
3-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 3-hydroxy-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 82771148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).