tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

C10H14O2 — CID 2733865

IUPACtricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESO=C(O)C12CC3CC(CC1C3)C2
InChIInChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)
InChIKeyRXUUYFUQAGICCD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds1

About tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (PubChem CID 2733865) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.

Molecular Properties

Compound Nametricyclo[3.3.1.03,7]nonane-3-carboxylic acid
PubChem CID2733865
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nametricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESO=C(O)C12CC3CC(CC1C3)C2
InChIInChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)
InChIKeyRXUUYFUQAGICCD-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Norbornanedicarboxylic acid
CID 99835
Bicyclo(2.2.1)heptane-1-carboxylic acid
CID 140414
Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
Bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79113
Norborn-2-ylacetic acid
CID 79139
Isolongifolic acid
CID 11831435
6-Oxobicyclo[2.2.1]heptane-2-carboxylic acid
CID 361987
Bicyclo(2.2.1)heptane-7-carboxylic acid
CID 12757495
2-(Bicyclo(2.2.1)heptan-1-yl)acetic acid
CID 15634960
rac-2-((1R,2S,4S)-bicyclo(2.2.1)heptan-2-yl)acetic acid
CID 21674516
exo-Norbornane-2-carboxylic acid
CID 256843
2-Methylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 122552

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The IUPAC name of tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (CID 2733865) is tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.
What is the SMILES notation for tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The canonical SMILES for tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is O=C(O)C12CC3CC(CC1C3)C2.
What is the InChIKey of tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The InChIKey is RXUUYFUQAGICCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12).
What are the key properties of tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
tricyclo[3.3.1.03,7]nonane-3-carboxylic acid has a molecular weight of 166.22 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 tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is sourced from PubChem (CID 2733865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).