8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid

C14H20N2O4 — CID 10660393

IUPAC8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H20N2O4/c17-12(18)8-4-2-1-3-5-9-15-13(19)11-7-6-10-16-14(11)20/h6-7,10H,1-5,8-9H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyHXHKOFBLXFZRGR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.53
Rot. Bonds9

About 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid

8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid (PubChem CID 10660393) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
PubChem CID10660393
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H20N2O4/c17-12(18)8-4-2-1-3-5-9-15-13(19)11-7-6-10-16-14(11)20/h6-7,10H,1-5,8-9H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyHXHKOFBLXFZRGR-UHFFFAOYSA-N
XLogP1.53
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid (CID 10660393) is 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid?
The InChIKey is HXHKOFBLXFZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-12(18)8-4-2-1-3-5-9-15-13(19)11-7-6-10-16-14(11)20/h6-7,10H,1-5,8-9H2,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid?
8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid is sourced from PubChem (CID 10660393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).