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

C10H15NO3 — CID 98469818

IUPAC(1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CCC[C@@H](C1)C2=NO
InChIInChI=1S/C10H15NO3/c12-10(13)8-4-6-2-1-3-7(5-8)9(6)11-14/h6-8,14H,1-5H2,(H,12,13)/b11-9-/t6-,7-,8?/m0/s1
InChIKeyQDCBCYFDEISDDF-PVPIZIINSA-N
MW197.23 g/mol
LogP1.73
Rot. Bonds1

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

(1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid (PubChem CID 98469818) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid
PubChem CID98469818
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CCC[C@@H](C1)C2=NO
InChIInChI=1S/C10H15NO3/c12-10(13)8-4-6-2-1-3-7(5-8)9(6)11-14/h6-8,14H,1-5H2,(H,12,13)/b11-9-/t6-,7-,8?/m0/s1
InChIKeyQDCBCYFDEISDDF-PVPIZIINSA-N
XLogP1.73
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294
methyl (1R,5R)-8-hydroxyiminobicyclo[3.2.1]octane-3-carboxylate
CID 98469608
(1R,3S,5S)-10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
CID 97036655
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
2,3,3a,4,5,6-hexahydro-1H-indene-5-carboxylic acid
CID 23008857
3-(2-bromophenyl)cyclohexane-1-carboxylic acid
CID 115052012
3-[(5-cyclobutylpyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 116975340
(1S,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98124662
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclopentanecarboxylic acid
CID 18840
(1S,5R)-9-(benzoylhydrazinylidene)bicyclo[3.3.1]nonane-3-carboxylate
CID 11887672

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid?
The IUPAC name of (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid (CID 98469818) is (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid.
What is the SMILES notation for (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid?
The canonical SMILES for (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid is O=C(O)C1C[C@@H]2CCC[C@@H](C1)C2=NO.
What is the InChIKey of (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid?
The InChIKey is QDCBCYFDEISDDF-PVPIZIINSA-N. The full InChI is InChI=1S/C10H15NO3/c12-10(13)8-4-6-2-1-3-7(5-8)9(6)11-14/h6-8,14H,1-5H2,(H,12,13)/b11-9-/t6-,7-,8?/m0/s1.
What are the key properties of (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid?
(1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-hydroxyiminobicyclo[3.3.1]nonane-3-carboxylic acid is sourced from PubChem (CID 98469818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).