5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid

C11H15NO4 — CID 70036931

IUPAC5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid
SMILESCOc1cccn(CCCCC(=O)O)c1=O
InChIInChI=1S/C11H15NO4/c1-16-9-5-4-8-12(11(9)15)7-3-2-6-10(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyIVHCWZGGNSSRGH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.11
Rot. Bonds6

About 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid

5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid (PubChem CID 70036931) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid
PubChem CID70036931
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid
SMILESCOc1cccn(CCCCC(=O)O)c1=O
InChIInChI=1S/C11H15NO4/c1-16-9-5-4-8-12(11(9)15)7-3-2-6-10(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyIVHCWZGGNSSRGH-UHFFFAOYSA-N
XLogP1.11
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid (CID 70036931) is 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid is COc1cccn(CCCCC(=O)O)c1=O.
What is the InChIKey of 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is IVHCWZGGNSSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-9-5-4-8-12(11(9)15)7-3-2-6-10(13)14/h4-5,8H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid?
5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 70036931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).