2-cyclobutylpropanoic acid

C7H12O2 — CID 23360961

IUPAC2-cyclobutylpropanoic acid
SMILESCC(C(=O)O)C1CCC1
InChIInChI=1S/C7H12O2/c1-5(7(8)9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyRHFMBAUXLFDCJS-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.51
Rot. Bonds2

About 2-cyclobutylpropanoic acid

2-cyclobutylpropanoic acid (PubChem CID 23360961) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-cyclobutylpropanoic acid.

Molecular Properties

Compound Name2-cyclobutylpropanoic acid
PubChem CID23360961
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-cyclobutylpropanoic acid
SMILESCC(C(=O)O)C1CCC1
InChIInChI=1S/C7H12O2/c1-5(7(8)9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyRHFMBAUXLFDCJS-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylpropanoic acid?
The IUPAC name of 2-cyclobutylpropanoic acid (CID 23360961) is 2-cyclobutylpropanoic acid.
What is the SMILES notation for 2-cyclobutylpropanoic acid?
The canonical SMILES for 2-cyclobutylpropanoic acid is CC(C(=O)O)C1CCC1.
What is the InChIKey of 2-cyclobutylpropanoic acid?
The InChIKey is RHFMBAUXLFDCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(7(8)9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-cyclobutylpropanoic acid?
2-cyclobutylpropanoic acid has a molecular weight of 128.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylpropanoic acid is sourced from PubChem (CID 23360961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).