2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid

C11H15BrO3 — CID 83845206

IUPAC2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrO3/c1-7(2)6-11(3,10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyJGZRVHBVGTZDEJ-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.43
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid

2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid (PubChem CID 83845206) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
PubChem CID83845206
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrO3/c1-7(2)6-11(3,10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyJGZRVHBVGTZDEJ-UHFFFAOYSA-N
XLogP3.43
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic 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-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate
CID 104653955
2-(4-ethylsulfanylphenyl)-2,4-dimethylpentanoic acid
CID 112519746
3-[(5-bromofuran-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 64914473
2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
CID 112519730
3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid
CID 83826119
2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 166201185
2-(5-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 104653465
2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
CID 104653909
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
CID 114998070

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid (CID 83845206) is 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid is CC(C)CC(C)(C(=O)O)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid?
The InChIKey is JGZRVHBVGTZDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-7(2)6-11(3,10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid?
2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid has a molecular weight of 275.14 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 83845206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).