3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid

C11H20N2O2 — CID 61234809

IUPAC3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid
SMILESCC(CN1C2CCC1CC(N)C2)C(=O)O
InChIInChI=1S/C11H20N2O2/c1-7(11(14)15)6-13-9-2-3-10(13)5-8(12)4-9/h7-10H,2-6,12H2,1H3,(H,14,15)
InChIKeyKGDGFRDAZWFISB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.66
Rot. Bonds3

About 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid (PubChem CID 61234809) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid
PubChem CID61234809
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid
SMILESCC(CN1C2CCC1CC(N)C2)C(=O)O
InChIInChI=1S/C11H20N2O2/c1-7(11(14)15)6-13-9-2-3-10(13)5-8(12)4-9/h7-10H,2-6,12H2,1H3,(H,14,15)
InChIKeyKGDGFRDAZWFISB-UHFFFAOYSA-N
XLogP0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid (CID 61234809) is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid is CC(CN1C2CCC1CC(N)C2)C(=O)O.
What is the InChIKey of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid?
The InChIKey is KGDGFRDAZWFISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(11(14)15)6-13-9-2-3-10(13)5-8(12)4-9/h7-10H,2-6,12H2,1H3,(H,14,15).
What are the key properties of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid?
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid is sourced from PubChem (CID 61234809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).