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

C12H22N2O2 — CID 61233362

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C1CC2CCC(C1)N2)C(=O)O
InChIInChI=1S/C12H22N2O2/c1-8(12(15)16)7-14(2)11-5-9-3-4-10(6-11)13-9/h8-11,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyFSODENXVJCMJFS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds4

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

3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid (PubChem CID 61233362) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid
PubChem CID61233362
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C1CC2CCC(C1)N2)C(=O)O
InChIInChI=1S/C12H22N2O2/c1-8(12(15)16)7-14(2)11-5-9-3-4-10(6-11)13-9/h8-11,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyFSODENXVJCMJFS-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-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-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid (CID 61233362) is 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid is CC(CN(C)C1CC2CCC(C1)N2)C(=O)O.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is FSODENXVJCMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(12(15)16)7-14(2)11-5-9-3-4-10(6-11)13-9/h8-11,13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid?
3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 226.32 g/mol, XLogP of 0.92, 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]-2-methylpropanoic acid is sourced from PubChem (CID 61233362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).