2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid

C11H16O3S — CID 114995683

IUPAC2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
SMILESCCC(CC)(OCc1cccs1)C(=O)O
InChIInChI=1S/C11H16O3S/c1-3-11(4-2,10(12)13)14-8-9-6-5-7-15-9/h5-7H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyBHRHBBYWPBPWMS-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.91
Rot. Bonds6

About 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid

2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid (PubChem CID 114995683) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
PubChem CID114995683
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
SMILESCCC(CC)(OCc1cccs1)C(=O)O
InChIInChI=1S/C11H16O3S/c1-3-11(4-2,10(12)13)14-8-9-6-5-7-15-9/h5-7H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyBHRHBBYWPBPWMS-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 114991334
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
carbonochloridic acid;2-ethylthiophene
CID 88766829
2-methyl-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 62354417
2-ethyl-2-(2-phenylethoxy)butanoic acid
CID 114992375
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
2-(ethoxymethyl)thiophene
CID 12699283
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 107867609
3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid?
The IUPAC name of 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid (CID 114995683) is 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid?
The canonical SMILES for 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid is CCC(CC)(OCc1cccs1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid?
The InChIKey is BHRHBBYWPBPWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-3-11(4-2,10(12)13)14-8-9-6-5-7-15-9/h5-7H,3-4,8H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid?
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid has a molecular weight of 228.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid is sourced from PubChem (CID 114995683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).