2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid

C11H15NO2S — CID 81223611

IUPAC2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
SMILESCC(C)(SCCc1ccccn1)C(=O)O
InChIInChI=1S/C11H15NO2S/c1-11(2,10(13)14)15-8-6-9-5-3-4-7-12-9/h3-5,7H,6,8H2,1-2H3,(H,13,14)
InChIKeyGLAJZFSLHKMOLN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid

2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid (PubChem CID 81223611) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
PubChem CID81223611
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
SMILESCC(C)(SCCc1ccccn1)C(=O)O
InChIInChI=1S/C11H15NO2S/c1-11(2,10(13)14)15-8-6-9-5-3-4-7-12-9/h3-5,7H,6,8H2,1-2H3,(H,13,14)
InChIKeyGLAJZFSLHKMOLN-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)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

2-methyl-2-(2-phenylethylsulfanyl)propanoic acid
CID 81228478
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
ethylsulfanyl(2-pyridin-2-ylethylsulfanyl)methanone
CID 11138878
2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
CID 79426104
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-[2-(4-methoxyphenyl)sulfanylethyl]pyridine;oxalic acid
CID 2854786
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-amino-2-methyl-N-phenyl-3-pyridin-2-ylpropanamide
CID 68993510
(2S)-2-azaniumyl-3-(2-pyridin-2-ylethylsulfanyl)propanoate
CID 6993376
2-methyl-3-oxo-2-(pyridin-2-ylmethyl)butanenitrile
CID 130514083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid (CID 81223611) is 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid is CC(C)(SCCc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid?
The InChIKey is GLAJZFSLHKMOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,10(13)14)15-8-6-9-5-3-4-7-12-9/h3-5,7H,6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid?
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid has a molecular weight of 225.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid is sourced from PubChem (CID 81223611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).