2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

C13H24N2O3 — CID 103495844

IUPAC2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H24N2O3/c1-9(10(2)13(17)18)12(16)15(4)11-5-7-14(3)8-6-11/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeyINLMRYOAFILLOO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.90
Rot. Bonds4

About 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 103495844) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
PubChem CID103495844
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H24N2O3/c1-9(10(2)13(17)18)12(16)15(4)11-5-7-14(3)8-6-11/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeyINLMRYOAFILLOO-UHFFFAOYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (CID 103495844) is 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is INLMRYOAFILLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(10(2)13(17)18)12(16)15(4)11-5-7-14(3)8-6-11/h9-11H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103495844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).