(2R,3R)-2-methyl-3-methylsulfanylbutanoic acid

C6H12O2S — CID 55303462

IUPAC(2R,3R)-2-methyl-3-methylsulfanylbutanoic acid
SMILESCS[C@H](C)[C@H](C)C(=O)O
InChIInChI=1S/C6H12O2S/c1-4(6(7)8)5(2)9-3/h4-5H,1-3H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyGRLLZAQRDYZOHG-CRCLSJGQSA-N
MW148.23 g/mol
LogP1.46
Rot. Bonds3

About (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid

(2R,3R)-2-methyl-3-methylsulfanylbutanoic acid (PubChem CID 55303462) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-methylsulfanylbutanoic acid
PubChem CID55303462
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name(2R,3R)-2-methyl-3-methylsulfanylbutanoic acid
SMILESCS[C@H](C)[C@H](C)C(=O)O
InChIInChI=1S/C6H12O2S/c1-4(6(7)8)5(2)9-3/h4-5H,1-3H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyGRLLZAQRDYZOHG-CRCLSJGQSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropanoic acid
CID 173073412
[carboxy(methylsulfanyl)methyl]azanium
CID 123780105
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
(2S)-3-fluoro-2-methylbutanoic acid
CID 163728037
azane;2-(1-carboxyethyldisulfanyl)propanoic acid
CID 173332153

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid?
The IUPAC name of (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid (CID 55303462) is (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid?
The canonical SMILES for (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid is CS[C@H](C)[C@H](C)C(=O)O.
What is the InChIKey of (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid?
The InChIKey is GRLLZAQRDYZOHG-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4(6(7)8)5(2)9-3/h4-5H,1-3H3,(H,7,8)/t4-,5+/m0/s1.
What are the key properties of (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid?
(2R,3R)-2-methyl-3-methylsulfanylbutanoic acid has a molecular weight of 148.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-methylsulfanylbutanoic acid is sourced from PubChem (CID 55303462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).