2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid

C11H22N2O2 — CID 115220582

IUPAC2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCC(CCNC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(11(14)15)3-6-12-10-4-7-13(2)8-5-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyGALHJOQBTOCBBY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid

2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid (PubChem CID 115220582) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid
PubChem CID115220582
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCC(CCNC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(11(14)15)3-6-12-10-4-7-13(2)8-5-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyGALHJOQBTOCBBY-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic 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 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid (CID 115220582) is 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid is CC(CCNC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is GALHJOQBTOCBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(11(14)15)3-6-12-10-4-7-13(2)8-5-10/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid?
2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 115220582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).