(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid

C9H15NO2 — CID 130631700

IUPAC(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2CCCN(C2)C1
InChIInChI=1S/C9H15NO2/c11-9(12)8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyJISBQNKQGWIOQM-MQWKRIRWSA-N
MW169.22 g/mol
LogP0.80
Rot. Bonds1

About (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid

(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid (PubChem CID 130631700) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
PubChem CID130631700
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2CCCN(C2)C1
InChIInChI=1S/C9H15NO2/c11-9(12)8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyJISBQNKQGWIOQM-MQWKRIRWSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The IUPAC name of (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid (CID 130631700) is (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid.
What is the SMILES notation for (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The canonical SMILES for (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid is O=C(O)[C@H]1CC2CCCN(C2)C1.
What is the InChIKey of (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid?
The InChIKey is JISBQNKQGWIOQM-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)8-4-7-2-1-3-10(5-7)6-8/h7-8H,1-6H2,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid?
(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid is sourced from PubChem (CID 130631700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).