6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid

C14H20N2O4 — CID 39150885

IUPAC6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCn1ccccc1=O
InChIInChI=1S/C14H20N2O4/c17-12(15-9-4-1-2-7-14(19)20)8-11-16-10-5-3-6-13(16)18/h3,5-6,10H,1-2,4,7-9,11H2,(H,15,17)(H,19,20)
InChIKeyGQIHIQJJUYFJHE-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.00
Rot. Bonds9

About 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid

6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid (PubChem CID 39150885) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
PubChem CID39150885
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCn1ccccc1=O
InChIInChI=1S/C14H20N2O4/c17-12(15-9-4-1-2-7-14(19)20)8-11-16-10-5-3-6-13(16)18/h3,5-6,10H,1-2,4,7-9,11H2,(H,15,17)(H,19,20)
InChIKeyGQIHIQJJUYFJHE-UHFFFAOYSA-N
XLogP1.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
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 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid (CID 39150885) is 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)CCn1ccccc1=O.
What is the InChIKey of 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
The InChIKey is GQIHIQJJUYFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-12(15-9-4-1-2-7-14(19)20)8-11-16-10-5-3-6-13(16)18/h3,5-6,10H,1-2,4,7-9,11H2,(H,15,17)(H,19,20).
What are the key properties of 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid is sourced from PubChem (CID 39150885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).