3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid

C11H13BrO2S — CID 83148913

IUPAC3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCC(Cc1cc(Br)cs1)(C(=O)O)C1CC1
InChIInChI=1S/C11H13BrO2S/c1-11(10(13)14,7-2-3-7)5-9-4-8(12)6-15-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyLOEAQUTUDUYLQV-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.55
Rot. Bonds4

About 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid

3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid (PubChem CID 83148913) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid
PubChem CID83148913
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCC(Cc1cc(Br)cs1)(C(=O)O)C1CC1
InChIInChI=1S/C11H13BrO2S/c1-11(10(13)14,7-2-3-7)5-9-4-8(12)6-15-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyLOEAQUTUDUYLQV-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
CID 65153708
3-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148148
4-(4-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 82489193
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexane-1-carboxylic acid
CID 63402689
2-[(4-bromothiophen-2-yl)methylamino]-2-methylpropanoic acid
CID 65263735
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
2-[(4-bromothiophen-2-yl)methyl]-2-ethylhexanoic acid
CID 63402781
2-(4-bromothiophen-2-yl)-1-cycloheptylethanone
CID 65399690
2-[4-[(4-bromothiophen-2-yl)methyl]phenyl]-2-methylpropanoic acid
CID 84612021
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol;oxalic acid
CID 45156056
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424657
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid?
The IUPAC name of 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid (CID 83148913) is 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid is CC(Cc1cc(Br)cs1)(C(=O)O)C1CC1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid?
The InChIKey is LOEAQUTUDUYLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c1-11(10(13)14,7-2-3-7)5-9-4-8(12)6-15-9/h4,6-7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid?
3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid has a molecular weight of 289.19 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid is sourced from PubChem (CID 83148913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).