2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

C12H16N2O4 — CID 79807313

IUPAC2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-12(4-2,11(17)18)14-10(16)8-6-5-7-13-9(8)15/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyLAKRRYCNTAZQOL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.75
Rot. Bonds5

About 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 79807313) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID79807313
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-12(4-2,11(17)18)14-10(16)8-6-5-7-13-9(8)15/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyLAKRRYCNTAZQOL-UHFFFAOYSA-N
XLogP0.75
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 79807313) is 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is LAKRRYCNTAZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-12(4-2,11(17)18)14-10(16)8-6-5-7-13-9(8)15/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79807313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).