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

C11H20N2O2 — CID 43139797

IUPAC3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid
SMILESCN1C2CCC1CC(NCCC(=O)O)C2
InChIInChI=1S/C11H20N2O2/c1-13-9-2-3-10(13)7-8(6-9)12-5-4-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyPMDJSUWWIGNOAY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds4

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

3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid (PubChem CID 43139797) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid
PubChem CID43139797
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid
SMILESCN1C2CCC1CC(NCCC(=O)O)C2
InChIInChI=1S/C11H20N2O2/c1-13-9-2-3-10(13)7-8(6-9)12-5-4-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyPMDJSUWWIGNOAY-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-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid (CID 43139797) is 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid is CN1C2CCC1CC(NCCC(=O)O)C2.
What is the InChIKey of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid?
The InChIKey is PMDJSUWWIGNOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-9-2-3-10(13)7-8(6-9)12-5-4-11(14)15/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid?
3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)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-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid is sourced from PubChem (CID 43139797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).