4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid

C11H14N2O3 — CID 879590

IUPAC4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid
SMILESCc1cc(C)nc(NC(=O)CCC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-7-5-8(2)12-9(6-7)13-10(14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFZYZPYXIQMRJJF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.50
Rot. Bonds4

About 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid

4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid (PubChem CID 879590) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid
PubChem CID879590
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid
SMILESCc1cc(C)nc(NC(=O)CCC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-7-5-8(2)12-9(6-7)13-10(14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFZYZPYXIQMRJJF-UHFFFAOYSA-N
XLogP1.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid (CID 879590) is 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid is Cc1cc(C)nc(NC(=O)CCC(=O)O)c1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid?
The InChIKey is FZYZPYXIQMRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-8(2)12-9(6-7)13-10(14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid?
4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 879590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).