3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid

C11H20N2O2 — CID 61233377

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CC2CCC(C1)N2
InChIInChI=1S/C11H20N2O2/c1-13(5-4-11(14)15)10-6-8-2-3-9(7-10)12-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyBPTIZLOTUITYGT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds4

About 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid

3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid (PubChem CID 61233377) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid
PubChem CID61233377
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CC2CCC(C1)N2
InChIInChI=1S/C11H20N2O2/c1-13(5-4-11(14)15)10-6-8-2-3-9(7-10)12-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyBPTIZLOTUITYGT-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid (CID 61233377) is 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid is CN(CCC(=O)O)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid?
The InChIKey is BPTIZLOTUITYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13(5-4-11(14)15)10-6-8-2-3-9(7-10)12-8/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid?
3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid is sourced from PubChem (CID 61233377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).