2-(3-phenylindazol-1-yl)propanoic acid

C16H14N2O2 — CID 20888249

IUPAC2-(3-phenylindazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-11(16(19)20)18-14-10-6-5-9-13(14)15(17-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20)
InChIKeyMPOKLHQPPVACLG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-phenylindazol-1-yl)propanoic acid

2-(3-phenylindazol-1-yl)propanoic acid (PubChem CID 20888249) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-phenylindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-phenylindazol-1-yl)propanoic acid
PubChem CID20888249
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(3-phenylindazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-11(16(19)20)18-14-10-6-5-9-13(14)15(17-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20)
InChIKeyMPOKLHQPPVACLG-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-phenylindazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylindazol-1-yl)propanoic acid?
The IUPAC name of 2-(3-phenylindazol-1-yl)propanoic acid (CID 20888249) is 2-(3-phenylindazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-phenylindazol-1-yl)propanoic acid?
The canonical SMILES for 2-(3-phenylindazol-1-yl)propanoic acid is CC(C(=O)O)n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-phenylindazol-1-yl)propanoic acid?
The InChIKey is MPOKLHQPPVACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11(16(19)20)18-14-10-6-5-9-13(14)15(17-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20).
What are the key properties of 2-(3-phenylindazol-1-yl)propanoic acid?
2-(3-phenylindazol-1-yl)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylindazol-1-yl)propanoic acid is sourced from PubChem (CID 20888249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).