3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid

C15H12Cl2N2O3 — CID 90094320

IUPAC3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(Cl)n1)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-10-5-2-1-4-9(10)12(8-14(20)21)19-15(22)11-6-3-7-13(17)18-11/h1-7,12H,8H2,(H,19,22)(H,20,21)
InChIKeyOWBAUBMKKNWADB-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.33
Rot. Bonds5

About 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid

3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid (PubChem CID 90094320) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid
PubChem CID90094320
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(Cl)n1)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-10-5-2-1-4-9(10)12(8-14(20)21)19-15(22)11-6-3-7-13(17)18-11/h1-7,12H,8H2,(H,19,22)(H,20,21)
InChIKeyOWBAUBMKKNWADB-UHFFFAOYSA-N
XLogP3.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid (CID 90094320) is 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cccc(Cl)n1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is OWBAUBMKKNWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-10-5-2-1-4-9(10)12(8-14(20)21)19-15(22)11-6-3-7-13(17)18-11/h1-7,12H,8H2,(H,19,22)(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid?
3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 339.18 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[(6-chloropyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 90094320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).