(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid

C10H14O3 — CID 826294

IUPAC(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C10H14O3/c11-9-6-2-1-3-7(9)5-8(4-6)10(12)13/h6-8H,1-5H2,(H,12,13)/t6-,7+,8?
InChIKeyCVPZZAZDFKAPMM-DHBOJHSNSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds1

About (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid

(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid (PubChem CID 826294) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
PubChem CID826294
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C10H14O3/c11-9-6-2-1-3-7(9)5-8(4-6)10(12)13/h6-8H,1-5H2,(H,12,13)/t6-,7+,8?
InChIKeyCVPZZAZDFKAPMM-DHBOJHSNSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 97036655
(1S,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98124662
(1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid
CID 98469818
N,N-dimethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42940625
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16616544
9-oxo-N-[4-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]but-2-ynyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 167908810
(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 50985760
N-cyclopropyl-N-ethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42947674
(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
CID 97033379
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid?
The IUPAC name of (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid (CID 826294) is (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid is O=C(O)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid?
The InChIKey is CVPZZAZDFKAPMM-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-6-2-1-3-7(9)5-8(4-6)10(12)13/h6-8H,1-5H2,(H,12,13)/t6-,7+,8?.
What are the key properties of (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid?
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid is sourced from PubChem (CID 826294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).