2-bromo-2-cyclopentylacetic acid

C7H11BrO2 — CID 13411842

IUPAC2-bromo-2-cyclopentylacetic acid
SMILESO=C(O)C(Br)C1CCCC1
InChIInChI=1S/C7H11BrO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10)
InChIKeyMUPJNXOZPQMJNR-UHFFFAOYSA-N
MW207.07 g/mol
LogP2.02
Rot. Bonds2

About 2-bromo-2-cyclopentylacetic acid

2-bromo-2-cyclopentylacetic acid (PubChem CID 13411842) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is 2-bromo-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-bromo-2-cyclopentylacetic acid
PubChem CID13411842
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name2-bromo-2-cyclopentylacetic acid
SMILESO=C(O)C(Br)C1CCCC1
InChIInChI=1S/C7H11BrO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10)
InChIKeyMUPJNXOZPQMJNR-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-cyclopentylacetic acid?
The IUPAC name of 2-bromo-2-cyclopentylacetic acid (CID 13411842) is 2-bromo-2-cyclopentylacetic acid.
What is the SMILES notation for 2-bromo-2-cyclopentylacetic acid?
The canonical SMILES for 2-bromo-2-cyclopentylacetic acid is O=C(O)C(Br)C1CCCC1.
What is the InChIKey of 2-bromo-2-cyclopentylacetic acid?
The InChIKey is MUPJNXOZPQMJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-bromo-2-cyclopentylacetic acid?
2-bromo-2-cyclopentylacetic acid has a molecular weight of 207.07 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-cyclopentylacetic acid is sourced from PubChem (CID 13411842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).