2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid

C11H14N2O5 — CID 79793117

IUPAC2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-3-11(2,10(17)18)13-9(16)6-4-7(14)12-8(15)5-6/h4-5H,3H2,1-2H3,(H,13,16)(H,17,18)(H2,12,14,15)
InChIKeyVTGSFIQODIJGAK-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.06
Rot. Bonds4

About 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid

2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79793117) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79793117
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-3-11(2,10(17)18)13-9(16)6-4-7(14)12-8(15)5-6/h4-5H,3H2,1-2H3,(H,13,16)(H,17,18)(H2,12,14,15)
InChIKeyVTGSFIQODIJGAK-UHFFFAOYSA-N
XLogP0.06
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid (CID 79793117) is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is VTGSFIQODIJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-11(2,10(17)18)13-9(16)6-4-7(14)12-8(15)5-6/h4-5H,3H2,1-2H3,(H,13,16)(H,17,18)(H2,12,14,15).
What are the key properties of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid?
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).