2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid

C11H16O2S — CID 83148678

IUPAC2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
SMILESCC(C)C(C)(Cc1ccsc1)C(=O)O
InChIInChI=1S/C11H16O2S/c1-8(2)11(3,10(12)13)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,12,13)
InChIKeyUEBQDFQEPQQMGC-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.04
Rot. Bonds4

About 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid

2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid (PubChem CID 83148678) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
PubChem CID83148678
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
SMILESCC(C)C(C)(Cc1ccsc1)C(=O)O
InChIInChI=1S/C11H16O2S/c1-8(2)11(3,10(12)13)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,12,13)
InChIKeyUEBQDFQEPQQMGC-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148534
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
CID 84752460
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
2-[(3,4-dichlorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149411
2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-3-ylpropanoic acid
CID 84752426
2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid
CID 79623332
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine
CID 81189148
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid?
The IUPAC name of 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid (CID 83148678) is 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid is CC(C)C(C)(Cc1ccsc1)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid?
The InChIKey is UEBQDFQEPQQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8(2)11(3,10(12)13)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,12,13).
What are the key properties of 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid?
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid has a molecular weight of 212.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid is sourced from PubChem (CID 83148678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).