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

C14H20N2O4 — CID 43171232

IUPAC3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10(2)13(14(19)20)15-11(17)7-9-16-8-5-4-6-12(16)18/h4-6,8,10,13H,3,7,9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXXXIQMCBDVFHCM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.85
Rot. Bonds7

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

3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (PubChem CID 43171232) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
PubChem CID43171232
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10(2)13(14(19)20)15-11(17)7-9-16-8-5-4-6-12(16)18/h4-6,8,10,13H,3,7,9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXXXIQMCBDVFHCM-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 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (CID 43171232) is 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is CCC(C)C(NC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The InChIKey is XXXIQMCBDVFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10(2)13(14(19)20)15-11(17)7-9-16-8-5-4-6-12(16)18/h4-6,8,10,13H,3,7,9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
3-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 3-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 43171232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).