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

C15H17NO3 — CID 757169

IUPAC4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c17-14(6-7-15(18)19)16-10-8-13(9-11-16)12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H,18,19)
InChIKeyUWOFDKMYONHKRP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds4

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

4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (PubChem CID 757169) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
PubChem CID757169
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H17NO3/c17-14(6-7-15(18)19)16-10-8-13(9-11-16)12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H,18,19)
InChIKeyUWOFDKMYONHKRP-UHFFFAOYSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (CID 757169) is 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is O=C(O)CCC(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The InChIKey is UWOFDKMYONHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(6-7-15(18)19)16-10-8-13(9-11-16)12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H,18,19).
What are the key properties of 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is sourced from PubChem (CID 757169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).