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

C18H21NO4 — CID 94758205

IUPAC5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cccc(OCCc2ccccc2)c1=O
InChIInChI=1S/C18H21NO4/c20-17(21)10-4-5-12-19-13-6-9-16(18(19)22)23-14-11-15-7-2-1-3-8-15/h1-3,6-9,13H,4-5,10-12,14H2,(H,20,21)
InChIKeyKNVRNUJCDWJWHP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.72
Rot. Bonds9

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

5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid (PubChem CID 94758205) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
PubChem CID94758205
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cccc(OCCc2ccccc2)c1=O
InChIInChI=1S/C18H21NO4/c20-17(21)10-4-5-12-19-13-6-9-16(18(19)22)23-14-11-15-7-2-1-3-8-15/h1-3,6-9,13H,4-5,10-12,14H2,(H,20,21)
InChIKeyKNVRNUJCDWJWHP-UHFFFAOYSA-N
XLogP2.72
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.72
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-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
5-[3-(2-morpholin-4-ylethoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151552
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
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
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
CID 82144044

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid?
The IUPAC name of 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid (CID 94758205) is 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid is O=C(O)CCCCn1cccc(OCCc2ccccc2)c1=O.
What is the InChIKey of 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid?
The InChIKey is KNVRNUJCDWJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-17(21)10-4-5-12-19-13-6-9-16(18(19)22)23-14-11-15-7-2-1-3-8-15/h1-3,6-9,13H,4-5,10-12,14H2,(H,20,21).
What are the key properties of 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid?
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 94758205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).