2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid

C10H20O3S — CID 114491469

IUPAC2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
SMILESCCC(O)(CC)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H20O3S/c1-5-10(13,6-2)7-14-9(3,4)8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyVNTXBXNQIMIPJA-UHFFFAOYSA-N
MW220.33 g/mol
LogP2.13
Rot. Bonds6

About 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid

2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid (PubChem CID 114491469) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
PubChem CID114491469
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
SMILESCCC(O)(CC)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H20O3S/c1-5-10(13,6-2)7-14-9(3,4)8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyVNTXBXNQIMIPJA-UHFFFAOYSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butylsulfanyl-2,2-diethyl-4-oxopentanoic acid
CID 89228319
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid
CID 104930585
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223331
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418
2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid
CID 5257135
4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
CID 114495188
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
3-ethyl-3-hydroxypentanoic acid
CID 11513768
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
2-(butylsulfanylcarbonyldisulfanyl)-2-methylpropanoic acid
CID 171782264
2-(6-ethoxy-6-oxohexyl)sulfanyl-2-methylpropanoic acid
CID 81229762

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid?
The IUPAC name of 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid (CID 114491469) is 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid?
The canonical SMILES for 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid is CCC(O)(CC)CSC(C)(C)C(=O)O.
What is the InChIKey of 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid?
The InChIKey is VNTXBXNQIMIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-5-10(13,6-2)7-14-9(3,4)8(11)12/h13H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid?
2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid has a molecular weight of 220.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid is sourced from PubChem (CID 114491469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).