9-aminobicyclo[3.3.1]nonane-9-carboxylic acid

C10H17NO2 — CID 4866632

IUPAC9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
SMILESNC1(C(=O)O)C2CCCC1CCC2
InChIInChI=1S/C10H17NO2/c11-10(9(12)13)7-3-1-4-8(10)6-2-5-7/h7-8H,1-6,11H2,(H,12,13)
InChIKeyFHJXLSAWYORMMX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds1

About 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid

9-aminobicyclo[3.3.1]nonane-9-carboxylic acid (PubChem CID 4866632) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid.

Molecular Properties

Compound Name9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
PubChem CID4866632
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
SMILESNC1(C(=O)O)C2CCCC1CCC2
InChIInChI=1S/C10H17NO2/c11-10(9(12)13)7-3-1-4-8(10)6-2-5-7/h7-8H,1-6,11H2,(H,12,13)
InChIKeyFHJXLSAWYORMMX-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 124709963
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Frequently Asked Questions

What is the IUPAC name of 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid?
The IUPAC name of 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid (CID 4866632) is 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid.
What is the SMILES notation for 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid?
The canonical SMILES for 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid is NC1(C(=O)O)C2CCCC1CCC2.
What is the InChIKey of 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid?
The InChIKey is FHJXLSAWYORMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-10(9(12)13)7-3-1-4-8(10)6-2-5-7/h7-8H,1-6,11H2,(H,12,13).
What are the key properties of 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid?
9-aminobicyclo[3.3.1]nonane-9-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminobicyclo[3.3.1]nonane-9-carboxylic acid is sourced from PubChem (CID 4866632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).