3-cyclobutyl-2-cyclopropylpropanoic acid

C10H16O2 — CID 115013430

IUPAC3-cyclobutyl-2-cyclopropylpropanoic acid
SMILESO=C(O)C(CC1CCC1)C1CC1
InChIInChI=1S/C10H16O2/c11-10(12)9(8-4-5-8)6-7-2-1-3-7/h7-9H,1-6H2,(H,11,12)
InChIKeyQTNNOCJLFOIWCS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds4

About 3-cyclobutyl-2-cyclopropylpropanoic acid

3-cyclobutyl-2-cyclopropylpropanoic acid (PubChem CID 115013430) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclobutyl-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-2-cyclopropylpropanoic acid
PubChem CID115013430
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-cyclobutyl-2-cyclopropylpropanoic acid
SMILESO=C(O)C(CC1CCC1)C1CC1
InChIInChI=1S/C10H16O2/c11-10(12)9(8-4-5-8)6-7-2-1-3-7/h7-9H,1-6H2,(H,11,12)
InChIKeyQTNNOCJLFOIWCS-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-cyclopropylpropanoic acid?
The IUPAC name of 3-cyclobutyl-2-cyclopropylpropanoic acid (CID 115013430) is 3-cyclobutyl-2-cyclopropylpropanoic acid.
What is the SMILES notation for 3-cyclobutyl-2-cyclopropylpropanoic acid?
The canonical SMILES for 3-cyclobutyl-2-cyclopropylpropanoic acid is O=C(O)C(CC1CCC1)C1CC1.
What is the InChIKey of 3-cyclobutyl-2-cyclopropylpropanoic acid?
The InChIKey is QTNNOCJLFOIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-10(12)9(8-4-5-8)6-7-2-1-3-7/h7-9H,1-6H2,(H,11,12).
What are the key properties of 3-cyclobutyl-2-cyclopropylpropanoic acid?
3-cyclobutyl-2-cyclopropylpropanoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-cyclopropylpropanoic acid is sourced from PubChem (CID 115013430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).