3-indazol-1-ylpropanoic acid

C10H10N2O2 — CID 805922

IUPAC3-indazol-1-ylpropanoic acid
SMILESO=C(O)CCn1ncc2ccccc21
InChIInChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14)
InChIKeyKWLUWAKLSFDQNN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.51
Rot. Bonds3

About 3-indazol-1-ylpropanoic acid

3-indazol-1-ylpropanoic acid (PubChem CID 805922) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-indazol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-indazol-1-ylpropanoic acid
PubChem CID805922
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-indazol-1-ylpropanoic acid
SMILESO=C(O)CCn1ncc2ccccc21
InChIInChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14)
InChIKeyKWLUWAKLSFDQNN-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpropanoic acid?
The IUPAC name of 3-indazol-1-ylpropanoic acid (CID 805922) is 3-indazol-1-ylpropanoic acid.
What is the SMILES notation for 3-indazol-1-ylpropanoic acid?
The canonical SMILES for 3-indazol-1-ylpropanoic acid is O=C(O)CCn1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylpropanoic acid?
The InChIKey is KWLUWAKLSFDQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of 3-indazol-1-ylpropanoic acid?
3-indazol-1-ylpropanoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpropanoic acid is sourced from PubChem (CID 805922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).