bicyclo[3.2.1]octane-8-carboxylic acid

C9H14O2 — CID 69144548

IUPACbicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)C1C2CCCC1CC2
InChIInChI=1S/C9H14O2/c10-9(11)8-6-2-1-3-7(8)5-4-6/h6-8H,1-5H2,(H,10,11)
InChIKeyXLCFJBQCFPMPBB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

About bicyclo[3.2.1]octane-8-carboxylic acid

bicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 69144548) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is bicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Namebicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID69144548
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namebicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)C1C2CCCC1CC2
InChIInChI=1S/C9H14O2/c10-9(11)8-6-2-1-3-7(8)5-4-6/h6-8H,1-5H2,(H,10,11)
InChIKeyXLCFJBQCFPMPBB-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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Related Compounds

(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
CID 57429701
(1S,5R)-6-oxabicyclo[3.2.1]octane-8-carboxylic acid
CID 130956156
(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
CID 162343969
(2S,3S)-3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124723449
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
(1R,5R,6R,7S)-6-N,6-N,7-N,7-N-tetramethylbicyclo[3.2.2]nonane-6,7-dicarboxamide
CID 98525013
3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid
CID 58339464
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
CID 131113488
(2R,3R)-3-ethylbicyclo[2.2.2]octane-2-carboxylic acid
CID 130834786
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 15748739
6-oxabicyclo[3.1.1]heptane-7-carboxylic acid
CID 142745301

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of bicyclo[3.2.1]octane-8-carboxylic acid (CID 69144548) is bicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for bicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for bicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)C1C2CCCC1CC2.
What is the InChIKey of bicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is XLCFJBQCFPMPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(11)8-6-2-1-3-7(8)5-4-6/h6-8H,1-5H2,(H,10,11).
What are the key properties of bicyclo[3.2.1]octane-8-carboxylic acid?
bicyclo[3.2.1]octane-8-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-8-carboxylic acid is sourced from PubChem (CID 69144548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).