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

C13H17BrN2O4 — CID 82854674

IUPAC5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H17BrN2O4/c1-9(3-2-4-13(19)20)15-11(17)8-16-7-10(14)5-6-12(16)18/h5-7,9H,2-4,8H2,1H3,(H,15,17)(H,19,20)
InChIKeyOOBSNYLTSKQEGG-UHFFFAOYSA-N
MW345.19 g/mol
LogP1.37
Rot. Bonds7

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

5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid (PubChem CID 82854674) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid
PubChem CID82854674
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H17BrN2O4/c1-9(3-2-4-13(19)20)15-11(17)8-16-7-10(14)5-6-12(16)18/h5-7,9H,2-4,8H2,1H3,(H,15,17)(H,19,20)
InChIKeyOOBSNYLTSKQEGG-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid (CID 82854674) is 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid?
The InChIKey is OOBSNYLTSKQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-9(3-2-4-13(19)20)15-11(17)8-16-7-10(14)5-6-12(16)18/h5-7,9H,2-4,8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid?
5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid has a molecular weight of 345.19 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82854674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).