5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid

C16H24N2O3 — CID 39151154

IUPAC5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cc(N2CCCCCC2)ccc1=O
InChIInChI=1S/C16H24N2O3/c19-15-9-8-14(17-10-4-1-2-5-11-17)13-18(15)12-6-3-7-16(20)21/h8-9,13H,1-7,10-12H2,(H,20,21)
InChIKeyAXOXUWWHLRPKAI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.48
Rot. Bonds6

About 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid

5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid (PubChem CID 39151154) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
PubChem CID39151154
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cc(N2CCCCCC2)ccc1=O
InChIInChI=1S/C16H24N2O3/c19-15-9-8-14(17-10-4-1-2-5-11-17)13-18(15)12-6-3-7-16(20)21/h8-9,13H,1-7,10-12H2,(H,20,21)
InChIKeyAXOXUWWHLRPKAI-UHFFFAOYSA-N
XLogP2.48
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
The IUPAC name of 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid (CID 39151154) is 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid is O=C(O)CCCCn1cc(N2CCCCCC2)ccc1=O.
What is the InChIKey of 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
The InChIKey is AXOXUWWHLRPKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15-9-8-14(17-10-4-1-2-5-11-17)13-18(15)12-6-3-7-16(20)21/h8-9,13H,1-7,10-12H2,(H,20,21).
What are the key properties of 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid?
5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 39151154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).