2-methyl-2-(2-methylpentylsulfanyl)propanoic acid

C10H20O2S — CID 81223418

IUPAC2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
SMILESCCCC(C)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H20O2S/c1-5-6-8(2)7-13-10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyBXMIEDPYENYUQO-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.02
Rot. Bonds6

About 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid

2-methyl-2-(2-methylpentylsulfanyl)propanoic acid (PubChem CID 81223418) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
PubChem CID81223418
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
SMILESCCCC(C)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H20O2S/c1-5-6-8(2)7-13-10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyBXMIEDPYENYUQO-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
2,2,4,4,6-pentamethylnonanoic acid
CID 143847726
1-hydroxysulfanyl-2-methylpentane
CID 144539311
2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
CID 81227544
(2R)-2-acetamido-3-(2-methylpentylsulfanyl)propanoic acid
CID 107774664
2-(3,3-diethoxypropylsulfanyl)-2-methylpropanoic acid
CID 81223425
ethane;1-ethylsulfanyl-2-methylpentane
CID 143279191
2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid
CID 5257135
barium(2+);hydride;2-(2-methylpentyl)propanedioic acid
CID 174968550
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
CID 114491469
2-(2-hydroxy-2-phenylethyl)sulfanyl-2-methylpropanoic acid
CID 81230756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid (CID 81223418) is 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid is CCCC(C)CSC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid?
The InChIKey is BXMIEDPYENYUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-5-6-8(2)7-13-10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid?
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid has a molecular weight of 204.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpentylsulfanyl)propanoic acid is sourced from PubChem (CID 81223418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).