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

C12H16N2O5 — CID 24706994

IUPAC2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-6(2)3-8(12(18)19)13-11(17)7-4-9(15)14-10(16)5-7/h4-6,8H,3H2,1-2H3,(H,13,17)(H,18,19)(H2,14,15,16)
InChIKeyCKHIRDMYRGRDRZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.31
Rot. Bonds5

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

2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 24706994) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID24706994
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-6(2)3-8(12(18)19)13-11(17)7-4-9(15)14-10(16)5-7/h4-6,8H,3H2,1-2H3,(H,13,17)(H,18,19)(H2,14,15,16)
InChIKeyCKHIRDMYRGRDRZ-UHFFFAOYSA-N
XLogP0.31
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.31
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]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 24706994) is 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(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]-4-methylpentanoic acid?
The InChIKey is CKHIRDMYRGRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-6(2)3-8(12(18)19)13-11(17)7-4-9(15)14-10(16)5-7/h4-6,8H,3H2,1-2H3,(H,13,17)(H,18,19)(H2,14,15,16).
What are the key properties of 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.31, 5 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]-4-methylpentanoic acid is sourced from PubChem (CID 24706994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).