2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid

C13H17BrN2O4 — CID 43245236

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C13H17BrN2O4/c1-8(2)5-10(13(19)20)15-11(17)7-16-6-9(14)3-4-12(16)18/h3-4,6,8,10H,5,7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeySDVOGIVJGLOOGM-UHFFFAOYSA-N
MW345.19 g/mol
LogP1.23
Rot. Bonds6

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 43245236) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
PubChem CID43245236
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O
InChIInChI=1S/C13H17BrN2O4/c1-8(2)5-10(13(19)20)15-11(17)7-16-6-9(14)3-4-12(16)18/h3-4,6,8,10H,5,7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeySDVOGIVJGLOOGM-UHFFFAOYSA-N
XLogP1.23
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid (CID 43245236) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)Cn1cc(Br)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is SDVOGIVJGLOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-8(2)5-10(13(19)20)15-11(17)7-16-6-9(14)3-4-12(16)18/h3-4,6,8,10H,5,7H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 345.19 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 43245236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).