bicyclo[2.1.0]pentane;2-methylpropanoic acid

C9H16O2 — CID 174730987

IUPACbicyclo[2.1.0]pentane;2-methylpropanoic acid
SMILESC1CC2CC12.CC(C)C(=O)O
InChIInChI=1S/C5H8.C4H8O2/c1-2-5-3-4(1)5;1-3(2)4(5)6/h4-5H,1-3H2;3H,1-2H3,(H,5,6)
InChIKeyQBQCBADKGKNMNZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.14
Rot. Bonds1

About bicyclo[2.1.0]pentane;2-methylpropanoic acid

bicyclo[2.1.0]pentane;2-methylpropanoic acid (PubChem CID 174730987) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is bicyclo[2.1.0]pentane;2-methylpropanoic acid.

Molecular Properties

Compound Namebicyclo[2.1.0]pentane;2-methylpropanoic acid
PubChem CID174730987
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namebicyclo[2.1.0]pentane;2-methylpropanoic acid
SMILESC1CC2CC12.CC(C)C(=O)O
InChIInChI=1S/C5H8.C4H8O2/c1-2-5-3-4(1)5;1-3(2)4(5)6/h4-5H,1-3H2;3H,1-2H3,(H,5,6)
InChIKeyQBQCBADKGKNMNZ-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.1.0]pentane;2-methylpropanoic acid?
The IUPAC name of bicyclo[2.1.0]pentane;2-methylpropanoic acid (CID 174730987) is bicyclo[2.1.0]pentane;2-methylpropanoic acid.
What is the SMILES notation for bicyclo[2.1.0]pentane;2-methylpropanoic acid?
The canonical SMILES for bicyclo[2.1.0]pentane;2-methylpropanoic acid is C1CC2CC12.CC(C)C(=O)O.
What is the InChIKey of bicyclo[2.1.0]pentane;2-methylpropanoic acid?
The InChIKey is QBQCBADKGKNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C4H8O2/c1-2-5-3-4(1)5;1-3(2)4(5)6/h4-5H,1-3H2;3H,1-2H3,(H,5,6).
What are the key properties of bicyclo[2.1.0]pentane;2-methylpropanoic acid?
bicyclo[2.1.0]pentane;2-methylpropanoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.1.0]pentane;2-methylpropanoic acid is sourced from PubChem (CID 174730987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).