3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid

C16H17NO3 — CID 123808684

IUPAC3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid
SMILESCC(O)c1cccc(-c2ccc(CCC(=O)O)nc2)c1
InChIInChI=1S/C16H17NO3/c1-11(18)12-3-2-4-13(9-12)14-5-6-15(17-10-14)7-8-16(19)20/h2-6,9-11,18H,7-8H2,1H3,(H,19,20)
InChIKeyCQBROJLASGLJSW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.82
Rot. Bonds5

About 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid

3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid (PubChem CID 123808684) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid
PubChem CID123808684
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid
SMILESCC(O)c1cccc(-c2ccc(CCC(=O)O)nc2)c1
InChIInChI=1S/C16H17NO3/c1-11(18)12-3-2-4-13(9-12)14-5-6-15(17-10-14)7-8-16(19)20/h2-6,9-11,18H,7-8H2,1H3,(H,19,20)
InChIKeyCQBROJLASGLJSW-UHFFFAOYSA-N
XLogP2.82
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid (CID 123808684) is 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid is CC(O)c1cccc(-c2ccc(CCC(=O)O)nc2)c1.
What is the InChIKey of 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid?
The InChIKey is CQBROJLASGLJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)12-3-2-4-13(9-12)14-5-6-15(17-10-14)7-8-16(19)20/h2-6,9-11,18H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid?
3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(1-hydroxyethyl)phenyl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 123808684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).