2-methyl-3-(2-methylpentylsulfinyl)propanoic acid

C10H20O3S — CID 64915156

IUPAC2-methyl-3-(2-methylpentylsulfinyl)propanoic acid
SMILESCCCC(C)CS(=O)CC(C)C(=O)O
InChIInChI=1S/C10H20O3S/c1-4-5-8(2)6-14(13)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyYSCQJSKLMGZDBP-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.89
Rot. Bonds7

About 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid

2-methyl-3-(2-methylpentylsulfinyl)propanoic acid (PubChem CID 64915156) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpentylsulfinyl)propanoic acid
PubChem CID64915156
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-methyl-3-(2-methylpentylsulfinyl)propanoic acid
SMILESCCCC(C)CS(=O)CC(C)C(=O)O
InChIInChI=1S/C10H20O3S/c1-4-5-8(2)6-14(13)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyYSCQJSKLMGZDBP-UHFFFAOYSA-N
XLogP1.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-3-(2-methylpentylsulfinyl)propanoate
CID 66114904
3-(2-methylpentylsulfinyl)propanoic acid
CID 62266783
CID 159174397
CID 159174397
2,15-dimethyloctadecanoic acid
CID 22251958
2,10-dimethyltridecanoic acid
CID 22251986
2-acetamido-3-(2-methylbutylsulfinyl)propanoic acid
CID 107753296
2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
CID 81227544
2-methyl-3-sulfinopropanoic acid
CID 2828757
(2R)-2-methyl-3-sulfinopropanoic acid
CID 7429293
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfinyl]-2-methylpropanoic acid
CID 104565641
3-[hydroxy(2-methylpentyl)phosphoryl]-2-methylpropanoic acid
CID 54512413
2-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylpropanoic acid
CID 64916958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid (CID 64915156) is 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid is CCCC(C)CS(=O)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid?
The InChIKey is YSCQJSKLMGZDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-4-5-8(2)6-14(13)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid?
2-methyl-3-(2-methylpentylsulfinyl)propanoic acid has a molecular weight of 220.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpentylsulfinyl)propanoic acid is sourced from PubChem (CID 64915156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).