(3R)-3-hydroxy-5-methylsulfanylpentanoic acid

C6H12O3S — CID 94425366

IUPAC(3R)-3-hydroxy-5-methylsulfanylpentanoic acid
SMILESCSCC[C@H](O)CC(=O)O
InChIInChI=1S/C6H12O3S/c1-10-3-2-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyGSKBRSYYWPTGJO-YFKPBYRVSA-N
MW164.23 g/mol
LogP0.58
Rot. Bonds5

About (3R)-3-hydroxy-5-methylsulfanylpentanoic acid

(3R)-3-hydroxy-5-methylsulfanylpentanoic acid (PubChem CID 94425366) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-methylsulfanylpentanoic acid
PubChem CID94425366
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(3R)-3-hydroxy-5-methylsulfanylpentanoic acid
SMILESCSCC[C@H](O)CC(=O)O
InChIInChI=1S/C6H12O3S/c1-10-3-2-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyGSKBRSYYWPTGJO-YFKPBYRVSA-N
XLogP0.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-methylsulfanylpentanoic acid?
The IUPAC name of (3R)-3-hydroxy-5-methylsulfanylpentanoic acid (CID 94425366) is (3R)-3-hydroxy-5-methylsulfanylpentanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-5-methylsulfanylpentanoic acid?
The canonical SMILES for (3R)-3-hydroxy-5-methylsulfanylpentanoic acid is CSCC[C@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxy-5-methylsulfanylpentanoic acid?
The InChIKey is GSKBRSYYWPTGJO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10-3-2-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3R)-3-hydroxy-5-methylsulfanylpentanoic acid?
(3R)-3-hydroxy-5-methylsulfanylpentanoic acid has a molecular weight of 164.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-methylsulfanylpentanoic acid is sourced from PubChem (CID 94425366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).