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

C19H23NO4 — CID 82151546

IUPAC5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cccc(OCCCc2ccccc2)c1=O
InChIInChI=1S/C19H23NO4/c21-18(22)12-4-5-13-20-14-6-11-17(19(20)23)24-15-7-10-16-8-2-1-3-9-16/h1-3,6,8-9,11,14H,4-5,7,10,12-13,15H2,(H,21,22)
InChIKeyBMUOLVIWGYSVCB-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.11
Rot. Bonds10

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

5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid (PubChem CID 82151546) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
PubChem CID82151546
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cccc(OCCCc2ccccc2)c1=O
InChIInChI=1S/C19H23NO4/c21-18(22)12-4-5-13-20-14-6-11-17(19(20)23)24-15-7-10-16-8-2-1-3-9-16/h1-3,6,8-9,11,14H,4-5,7,10,12-13,15H2,(H,21,22)
InChIKeyBMUOLVIWGYSVCB-UHFFFAOYSA-N
XLogP3.11
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.11
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-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
5-[3-(2-morpholin-4-ylethoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151552
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
5-(3-hydroxy-2-oxo-1-pyridinyl)pentanoic acid
CID 10443125
2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
2-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 114333958
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid?
The IUPAC name of 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid (CID 82151546) is 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid is O=C(O)CCCCn1cccc(OCCCc2ccccc2)c1=O.
What is the InChIKey of 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid?
The InChIKey is BMUOLVIWGYSVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-18(22)12-4-5-13-20-14-6-11-17(19(20)23)24-15-7-10-16-8-2-1-3-9-16/h1-3,6,8-9,11,14H,4-5,7,10,12-13,15H2,(H,21,22).
What are the key properties of 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid?
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 82151546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).