4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid

C12H24N2O3 — CID 65299719

IUPAC4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCN(C)CCCN(C)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,11(16)17)9-10(15)14(5)8-6-7-13(3)4/h6-9H2,1-5H3,(H,16,17)
InChIKeyZQHDJXVUGYVEKS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.90
Rot. Bonds7

About 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299719) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299719
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCN(C)CCCN(C)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,11(16)17)9-10(15)14(5)8-6-7-13(3)4/h6-9H2,1-5H3,(H,16,17)
InChIKeyZQHDJXVUGYVEKS-UHFFFAOYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-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-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
CID 20664951
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 169313143
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
2,2-dimethyl-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobutanoic acid
CID 115165292
2,2-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-oxobutanoic acid
CID 65302425

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 65299719) is 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid is CN(C)CCCN(C)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is ZQHDJXVUGYVEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,11(16)17)9-10(15)14(5)8-6-7-13(3)4/h6-9H2,1-5H3,(H,16,17).
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).