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

C12H16N2O5 — CID 79806257

IUPAC2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-3-12(4-2,11(18)19)14-10(17)7-5-8(15)13-9(16)6-7/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)(H2,13,15,16)
InChIKeySTAHSUCOZDBYLX-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.45
Rot. Bonds5

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

2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 79806257) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
PubChem CID79806257
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-3-12(4-2,11(18)19)14-10(17)7-5-8(15)13-9(16)6-7/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)(H2,13,15,16)
InChIKeySTAHSUCOZDBYLX-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid (CID 79806257) is 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is STAHSUCOZDBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-3-12(4-2,11(18)19)14-10(17)7-5-8(15)13-9(16)6-7/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)(H2,13,15,16).
What are the key properties of 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79806257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).