3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid

C11H22N2O2 — CID 115219774

IUPAC3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
SMILESCC(CNC1CCCN(C)C1)CC(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(6-11(14)15)7-12-10-4-3-5-13(2)8-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyHNLCMIIHJVEKNM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid

3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid (PubChem CID 115219774) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
PubChem CID115219774
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
SMILESCC(CNC1CCCN(C)C1)CC(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(6-11(14)15)7-12-10-4-3-5-13(2)8-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyHNLCMIIHJVEKNM-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 3-methyl-4-[(1-methylpiperidin-3-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

Related Compounds

3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
4-hydroxy-5-[(1-methylpiperidin-3-yl)amino]pentanoic acid
CID 115122599
3-methyl-4-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]butanoic acid
CID 81070073
3,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115220242
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234
4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81069884
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid (CID 115219774) is 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid is CC(CNC1CCCN(C)C1)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
The InChIKey is HNLCMIIHJVEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(6-11(14)15)7-12-10-4-3-5-13(2)8-10/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid?
3-methyl-4-[(1-methylpiperidin-3-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 3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 115219774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).