5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid

C14H19NO4 — CID 82151547

IUPAC5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
SMILESC=C(C)COc1cccn(CCCCC(=O)O)c1=O
InChIInChI=1S/C14H19NO4/c1-11(2)10-19-12-6-5-9-15(14(12)18)8-4-3-7-13(16)17/h5-6,9H,1,3-4,7-8,10H2,2H3,(H,16,17)
InChIKeyJPRNYKUKTVRQMG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.06
Rot. Bonds8

About 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid

5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid (PubChem CID 82151547) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
PubChem CID82151547
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
SMILESC=C(C)COc1cccn(CCCCC(=O)O)c1=O
InChIInChI=1S/C14H19NO4/c1-11(2)10-19-12-6-5-9-15(14(12)18)8-4-3-7-13(16)17/h5-6,9H,1,3-4,7-8,10H2,2H3,(H,16,17)
InChIKeyJPRNYKUKTVRQMG-UHFFFAOYSA-N
XLogP2.06
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one
CID 82143957
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
5-(3-hydroxy-2-oxo-1-pyridinyl)pentanoic acid
CID 10443125
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
5-[3-(2-morpholin-4-ylethoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151552
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid?
The IUPAC name of 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid (CID 82151547) is 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid is C=C(C)COc1cccn(CCCCC(=O)O)c1=O.
What is the InChIKey of 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid?
The InChIKey is JPRNYKUKTVRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(2)10-19-12-6-5-9-15(14(12)18)8-4-3-7-13(16)17/h5-6,9H,1,3-4,7-8,10H2,2H3,(H,16,17).
What are the key properties of 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid?
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 82151547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).