(4R)-4-methylsulfanylpentanoic acid

C6H12O2S — CID 94375114

IUPAC(4R)-4-methylsulfanylpentanoic acid
SMILESCS[C@H](C)CCC(=O)O
InChIInChI=1S/C6H12O2S/c1-5(9-2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyXFPKXJGAGPLNNE-RXMQYKEDSA-N
MW148.23 g/mol
LogP1.60
Rot. Bonds4

About (4R)-4-methylsulfanylpentanoic acid

(4R)-4-methylsulfanylpentanoic acid (PubChem CID 94375114) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is (4R)-4-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-methylsulfanylpentanoic acid
PubChem CID94375114
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name(4R)-4-methylsulfanylpentanoic acid
SMILESCS[C@H](C)CCC(=O)O
InChIInChI=1S/C6H12O2S/c1-5(9-2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyXFPKXJGAGPLNNE-RXMQYKEDSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylbutylsulfanyl)pentanoic acid
CID 107746382
4-(3-carboxypropyldisulfanyl)pentanoic acid
CID 171776176
3-methylhexanedioic acid;dihydrobromide
CID 172737269
magnesium;hydride;4-methylpentanoic acid
CID 174689724
5-methylsulfanyl-4-oxohexanoic acid
CID 57297622
4-cyclohexylsulfanylpentanoic acid
CID 62213265
4-formyl-5-methylhexanoic acid
CID 141229887
4-aminopentanoic acid;ethane
CID 143436801
4-(4-chlorophenyl)sulfanylpentanoic acid
CID 62213263
4-(benzenecarbonothioylsulfanyl)pentanoic acid
CID 150724433
formic acid;3-methylhexanedioic acid
CID 91009352
azane;2,2,3-trimethylhexanedioic acid
CID 175059163

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylsulfanylpentanoic acid?
The IUPAC name of (4R)-4-methylsulfanylpentanoic acid (CID 94375114) is (4R)-4-methylsulfanylpentanoic acid.
What is the SMILES notation for (4R)-4-methylsulfanylpentanoic acid?
The canonical SMILES for (4R)-4-methylsulfanylpentanoic acid is CS[C@H](C)CCC(=O)O.
What is the InChIKey of (4R)-4-methylsulfanylpentanoic acid?
The InChIKey is XFPKXJGAGPLNNE-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5(9-2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (4R)-4-methylsulfanylpentanoic acid?
(4R)-4-methylsulfanylpentanoic acid has a molecular weight of 148.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylsulfanylpentanoic acid is sourced from PubChem (CID 94375114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).