6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid

C12H16N2O5 — CID 175499394

IUPAC6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid
SMILESNOC(=O)c1ccc(=O)n(CCCCCC(=O)O)c1
InChIInChI=1S/C12H16N2O5/c13-19-12(18)9-5-6-10(15)14(8-9)7-3-1-2-4-11(16)17/h5-6,8H,1-4,7,13H2,(H,16,17)
InChIKeyKBJSQHLFVAMPEK-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.52
Rot. Bonds7

About 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid

6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid (PubChem CID 175499394) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid
PubChem CID175499394
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid
SMILESNOC(=O)c1ccc(=O)n(CCCCCC(=O)O)c1
InChIInChI=1S/C12H16N2O5/c13-19-12(18)9-5-6-10(15)14(8-9)7-3-1-2-4-11(16)17/h5-6,8H,1-4,7,13H2,(H,16,17)
InChIKeyKBJSQHLFVAMPEK-UHFFFAOYSA-N
XLogP0.52
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid?
The IUPAC name of 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid (CID 175499394) is 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid is NOC(=O)c1ccc(=O)n(CCCCCC(=O)O)c1.
What is the InChIKey of 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is KBJSQHLFVAMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c13-19-12(18)9-5-6-10(15)14(8-9)7-3-1-2-4-11(16)17/h5-6,8H,1-4,7,13H2,(H,16,17).
What are the key properties of 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid?
6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminooxycarbonyl-2-oxo-1-pyridinyl)hexanoic acid is sourced from PubChem (CID 175499394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).