3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid

C17H27NO4 — CID 98646565

IUPAC3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
SMILESCCCCCCCCCOc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C17H27NO4/c1-2-3-4-5-6-7-8-14-22-15-10-9-12-18(17(15)21)13-11-16(19)20/h9-10,12H,2-8,11,13-14H2,1H3,(H,19,20)
InChIKeyLGECPIOORKPTKB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.45
Rot. Bonds12

About 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid

3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 98646565) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
PubChem CID98646565
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
SMILESCCCCCCCCCOc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C17H27NO4/c1-2-3-4-5-6-7-8-14-22-15-10-9-12-18(17(15)21)13-11-16(19)20/h9-10,12H,2-8,11,13-14H2,1H3,(H,19,20)
InChIKeyLGECPIOORKPTKB-UHFFFAOYSA-N
XLogP3.45
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.45
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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Related Compounds

5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82056227
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
2-(3-hexoxy-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151667
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744

Frequently Asked Questions

What is the IUPAC name of 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid (CID 98646565) is 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid is CCCCCCCCCOc1cccn(CCC(=O)O)c1=O.
What is the InChIKey of 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is LGECPIOORKPTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-2-3-4-5-6-7-8-14-22-15-10-9-12-18(17(15)21)13-11-16(19)20/h9-10,12H,2-8,11,13-14H2,1H3,(H,19,20).
What are the key properties of 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid?
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 309.41 g/mol, XLogP of 3.45, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 98646565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).