3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid

C11H22N2O2 — CID 83013890

IUPAC3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid
SMILESCC(CNN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15)7-12-13-9(2)5-4-6-10(13)3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyFGROIQROCAZOMQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.47
Rot. Bonds4

About 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid

3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid (PubChem CID 83013890) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid
PubChem CID83013890
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid
SMILESCC(CNN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15)7-12-13-9(2)5-4-6-10(13)3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyFGROIQROCAZOMQ-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,6-dimethylpiperidin-1-yl)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-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid (CID 83013890) is 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid is CC(CNN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid?
The InChIKey is FGROIQROCAZOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(11(14)15)7-12-13-9(2)5-4-6-10(13)3/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83013890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).