3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid

C11H15BrO3 — CID 83826119

IUPAC3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrO3/c1-11(2,3)7(6-10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyHBJSEBSBNDNQJZ-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.65
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid

3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid (PubChem CID 83826119) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid
PubChem CID83826119
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrO3/c1-11(2,3)7(6-10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyHBJSEBSBNDNQJZ-UHFFFAOYSA-N
XLogP3.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(5-bromofuran-2-yl)propanoic acid
CID 24706376
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
CID 29060163
2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
CID 83845206
1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
CID 65150580
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
2-[1-(5-bromofuran-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426260
3-[2-bromo-5-(2-methoxyethoxy)phenyl]-4,4-dimethylpentanoic acid
CID 66724104
2-[1-(5-bromofuran-2-yl)ethyl-prop-2-enylamino]acetic acid
CID 104654114
4-[1-(5-bromofuran-2-yl)ethyl-propan-2-ylamino]butanoic acid
CID 104654056
tert-butyl N-[1-(5-bromofuran-2-yl)-2-methylsulfinylethyl]carbamate
CID 143839197
(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260156

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid?
The IUPAC name of 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid (CID 83826119) is 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid is CC(C)(C)C(CC(=O)O)c1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid?
The InChIKey is HBJSEBSBNDNQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-11(2,3)7(6-10(13)14)8-4-5-9(12)15-8/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid?
3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid has a molecular weight of 275.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 83826119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).