2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid

C16H15NO3 — CID 90991624

IUPAC2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)C(=O)Cc1cc(CCc2ccccc2)ccn1
InChIInChI=1S/C16H15NO3/c18-15(16(19)20)11-14-10-13(8-9-17-14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,20)
InChIKeyUEEVWMHMPBRXQO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.06
Rot. Bonds6

About 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid

2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid (PubChem CID 90991624) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid
PubChem CID90991624
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)C(=O)Cc1cc(CCc2ccccc2)ccn1
InChIInChI=1S/C16H15NO3/c18-15(16(19)20)11-14-10-13(8-9-17-14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,20)
InChIKeyUEEVWMHMPBRXQO-UHFFFAOYSA-N
XLogP2.06
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
CID 91387791
ethyl 3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-oxopropanoate
CID 91146657
2-oxo-3-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanoic acid
CID 91261000
3-[4-(3-phenylpropyl)-2-pyridinyl]propane-1-sulfonic acid
CID 87886254
ethyl 2-oxo-3-[6-(2-phenylethyl)pyrimidin-4-yl]propanoate
CID 90753917
1-(4-propyl-2-pyridinyl)pentan-2-one
CID 123890630
1-oxido-N-[4-(2-phenylethyl)-2-pyridinyl]pyridin-1-ium-2-carboxamide
CID 75424631
3-[5-[2-(2-aminopyrimidin-5-yl)ethyl]-2-pyridinyl]-2-oxopropanoic acid
CID 90815663
2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 90901581
2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide
CID 75388106
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
CID 117001540
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid (CID 90991624) is 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid is O=C(O)C(=O)Cc1cc(CCc2ccccc2)ccn1.
What is the InChIKey of 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid?
The InChIKey is UEEVWMHMPBRXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(16(19)20)11-14-10-13(8-9-17-14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,20).
What are the key properties of 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid?
2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 90991624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).