2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid

C15H14N2O3 — CID 90916200

IUPAC2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(-c2cccnc2)ccc1C(N)=O
InChIInChI=1S/C15H14N2O3/c1-9(15(19)20)13-7-10(4-5-12(13)14(16)18)11-3-2-6-17-8-11/h2-9H,1H3,(H2,16,18)(H,19,20)
InChIKeyIHSXOWDEERVBCJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid

2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid (PubChem CID 90916200) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
PubChem CID90916200
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(-c2cccnc2)ccc1C(N)=O
InChIInChI=1S/C15H14N2O3/c1-9(15(19)20)13-7-10(4-5-12(13)14(16)18)11-3-2-6-17-8-11/h2-9H,1H3,(H2,16,18)(H,19,20)
InChIKeyIHSXOWDEERVBCJ-UHFFFAOYSA-N
XLogP2.04
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid?
The IUPAC name of 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid (CID 90916200) is 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid is CC(C(=O)O)c1cc(-c2cccnc2)ccc1C(N)=O.
What is the InChIKey of 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid?
The InChIKey is IHSXOWDEERVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9(15(19)20)13-7-10(4-5-12(13)14(16)18)11-3-2-6-17-8-11/h2-9H,1H3,(H2,16,18)(H,19,20).
What are the key properties of 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid?
2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 90916200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).