2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid

C13H19N3O3 — CID 113377319

IUPAC2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
SMILESCN1C2CCCC1CC(Nc1nc(C(=O)O)co1)C2
InChIInChI=1S/C13H19N3O3/c1-16-9-3-2-4-10(16)6-8(5-9)14-13-15-11(7-19-13)12(17)18/h7-10H,2-6H2,1H3,(H,14,15)(H,17,18)
InChIKeyIWUWVEAOWDFGSK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds3

About 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 113377319) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
PubChem CID113377319
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
SMILESCN1C2CCCC1CC(Nc1nc(C(=O)O)co1)C2
InChIInChI=1S/C13H19N3O3/c1-16-9-3-2-4-10(16)6-8(5-9)14-13-15-11(7-19-13)12(17)18/h7-10H,2-6H2,1H3,(H,14,15)(H,17,18)
InChIKeyIWUWVEAOWDFGSK-UHFFFAOYSA-N
XLogP1.80
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid (CID 113377319) is 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid is CN1C2CCCC1CC(Nc1nc(C(=O)O)co1)C2.
What is the InChIKey of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is IWUWVEAOWDFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-9-3-2-4-10(16)6-8(5-9)14-13-15-11(7-19-13)12(17)18/h7-10H,2-6H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid?
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).