3-phenyl-3-pyridin-2-ylpropanoic acid

C14H13NO2 — CID 10633058

IUPAC3-phenyl-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2/c16-14(17)10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H,10H2,(H,16,17)
InChIKeyXTQOUVPIWQGVEJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.69
Rot. Bonds4

About 3-phenyl-3-pyridin-2-ylpropanoic acid

3-phenyl-3-pyridin-2-ylpropanoic acid (PubChem CID 10633058) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-phenyl-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-phenyl-3-pyridin-2-ylpropanoic acid
PubChem CID10633058
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-phenyl-3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO2/c16-14(17)10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H,10H2,(H,16,17)
InChIKeyXTQOUVPIWQGVEJ-UHFFFAOYSA-N
XLogP2.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Isbogrel
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3-(Pyridin-4-yl)propanoic acid
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3-(Pyridin-3-yl)propanoic acid
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3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
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3-Phenyl-2-(1-pyrrolyl)propanoic acid
CID 3245144
3-Pyridinebutanoic acid
CID 114
4-Pyridin-3-yl-benzoic acid
CID 1515244
3-(Pyridin-2-yl)propanoic acid
CID 564292
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-phenyl-3-pyridin-2-ylpropanoic acid (CID 10633058) is 3-phenyl-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-phenyl-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-phenyl-3-pyridin-2-ylpropanoic acid is O=C(O)CC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-phenyl-3-pyridin-2-ylpropanoic acid?
The InChIKey is XTQOUVPIWQGVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H,10H2,(H,16,17).
What are the key properties of 3-phenyl-3-pyridin-2-ylpropanoic acid?
3-phenyl-3-pyridin-2-ylpropanoic acid has a molecular weight of 227.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 10633058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).