5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid

C16H19NO3 — CID 757170

IUPAC5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H19NO3/c18-15(7-4-8-16(19)20)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,9H,4,7-8,10-12H2,(H,19,20)
InChIKeyYSUSIDMAOHTUSE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.56
Rot. Bonds5

About 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid

5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid (PubChem CID 757170) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
PubChem CID757170
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H19NO3/c18-15(7-4-8-16(19)20)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,9H,4,7-8,10-12H2,(H,19,20)
InChIKeyYSUSIDMAOHTUSE-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid (CID 757170) is 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid is O=C(O)CCCC(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
The InChIKey is YSUSIDMAOHTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(7-4-8-16(19)20)17-11-9-14(10-12-17)13-5-2-1-3-6-13/h1-3,5-6,9H,4,7-8,10-12H2,(H,19,20).
What are the key properties of 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid?
5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid is sourced from PubChem (CID 757170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).