2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid

C10H15NO2 — CID 141371405

IUPAC2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid
SMILESO=C(O)C1C2CC3CC(C2)NC1C3
InChIInChI=1S/C10H15NO2/c12-10(13)9-6-1-5-2-7(4-6)11-8(9)3-5/h5-9,11H,1-4H2,(H,12,13)
InChIKeyGGCXSUJLAJJTIO-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.85
Rot. Bonds1

About 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid

2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid (PubChem CID 141371405) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid
PubChem CID141371405
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid
SMILESO=C(O)C1C2CC3CC(C2)NC1C3
InChIInChI=1S/C10H15NO2/c12-10(13)9-6-1-5-2-7(4-6)11-8(9)3-5/h5-9,11H,1-4H2,(H,12,13)
InChIKeyGGCXSUJLAJJTIO-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-azatricyclo[3.3.1.13,7]decane;carbamic acid
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(3S)-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid?
The IUPAC name of 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid (CID 141371405) is 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid.
What is the SMILES notation for 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid?
The canonical SMILES for 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid is O=C(O)C1C2CC3CC(C2)NC1C3.
What is the InChIKey of 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid?
The InChIKey is GGCXSUJLAJJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)9-6-1-5-2-7(4-6)11-8(9)3-5/h5-9,11H,1-4H2,(H,12,13).
What are the key properties of 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid?
2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid is sourced from PubChem (CID 141371405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).