2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid

C14H26N2O3 — CID 65300009

IUPAC2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
SMILESCN1CCC(CN(C)C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,13(18)19)9-12(17)16(4)10-11-5-7-15(3)8-6-11/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyNXDDRGFFEHCCIN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.29
Rot. Bonds5

About 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid

2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid (PubChem CID 65300009) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
PubChem CID65300009
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
SMILESCN1CCC(CN(C)C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,13(18)19)9-12(17)16(4)10-11-5-7-15(3)8-6-11/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyNXDDRGFFEHCCIN-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic 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

4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 65297852
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
6-amino-N,4,4-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 65291673
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 64701683
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid (CID 65300009) is 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid is CN1CCC(CN(C)C(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid?
The InChIKey is NXDDRGFFEHCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,13(18)19)9-12(17)16(4)10-11-5-7-15(3)8-6-11/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 65300009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).