4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid

C14H20N2O4 — CID 43170174

IUPAC4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)9-11(14(19)20)15-12(17)6-8-16-7-4-3-5-13(16)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXNRNGNPWYRNDGR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.85
Rot. Bonds7

About 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid

4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (PubChem CID 43170174) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
PubChem CID43170174
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)9-11(14(19)20)15-12(17)6-8-16-7-4-3-5-13(16)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXNRNGNPWYRNDGR-UHFFFAOYSA-N
XLogP0.85
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (CID 43170174) is 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is CC(C)CC(NC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The InChIKey is XNRNGNPWYRNDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)9-11(14(19)20)15-12(17)6-8-16-7-4-3-5-13(16)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 43170174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).