2-indazol-2-yl-4-methylpentanoic acid

C13H16N2O2 — CID 58506951

IUPAC2-indazol-2-yl-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc2ccccc2n1
InChIInChI=1S/C13H16N2O2/c1-9(2)7-12(13(16)17)15-8-10-5-3-4-6-11(10)14-15/h3-6,8-9,12H,7H2,1-2H3,(H,16,17)
InChIKeyDFLIZPRDCYVTLO-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.71
Rot. Bonds4

About 2-indazol-2-yl-4-methylpentanoic acid

2-indazol-2-yl-4-methylpentanoic acid (PubChem CID 58506951) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-indazol-2-yl-4-methylpentanoic acid.

Molecular Properties

Compound Name2-indazol-2-yl-4-methylpentanoic acid
PubChem CID58506951
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-indazol-2-yl-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc2ccccc2n1
InChIInChI=1S/C13H16N2O2/c1-9(2)7-12(13(16)17)15-8-10-5-3-4-6-11(10)14-15/h3-6,8-9,12H,7H2,1-2H3,(H,16,17)
InChIKeyDFLIZPRDCYVTLO-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-2-yl-4-methylpentanoic acid?
The IUPAC name of 2-indazol-2-yl-4-methylpentanoic acid (CID 58506951) is 2-indazol-2-yl-4-methylpentanoic acid.
What is the SMILES notation for 2-indazol-2-yl-4-methylpentanoic acid?
The canonical SMILES for 2-indazol-2-yl-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1cc2ccccc2n1.
What is the InChIKey of 2-indazol-2-yl-4-methylpentanoic acid?
The InChIKey is DFLIZPRDCYVTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)7-12(13(16)17)15-8-10-5-3-4-6-11(10)14-15/h3-6,8-9,12H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-indazol-2-yl-4-methylpentanoic acid?
2-indazol-2-yl-4-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-2-yl-4-methylpentanoic acid is sourced from PubChem (CID 58506951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).