bicyclo[3.2.1]octane-3-carboxylic acid

C9H14O2 — CID 13370221

IUPACbicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)C1CC2CCC(C2)C1
InChIInChI=1S/C9H14O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H,10,11)
InChIKeyKTEWGIIYPCRLJJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About bicyclo[3.2.1]octane-3-carboxylic acid

bicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 13370221) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is bicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Namebicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID13370221
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namebicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)C1CC2CCC(C2)C1
InChIInChI=1S/C9H14O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H,10,11)
InChIKeyKTEWGIIYPCRLJJ-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of bicyclo[3.2.1]octane-3-carboxylic acid (CID 13370221) is bicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for bicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for bicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)C1CC2CCC(C2)C1.
What is the InChIKey of bicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is KTEWGIIYPCRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h6-8H,1-5H2,(H,10,11).
What are the key properties of bicyclo[3.2.1]octane-3-carboxylic acid?
bicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 13370221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).