2-indazol-1-yl-3-methoxy-2-methylpropanoic acid

C12H14N2O3 — CID 115002905

IUPAC2-indazol-1-yl-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)n1ncc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-12(8-17-2,11(15)16)14-10-6-4-3-5-9(10)7-13-14/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyNXXKHLUBVIVGRI-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.48
Rot. Bonds4

About 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid

2-indazol-1-yl-3-methoxy-2-methylpropanoic acid (PubChem CID 115002905) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-indazol-1-yl-3-methoxy-2-methylpropanoic acid
PubChem CID115002905
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-indazol-1-yl-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)n1ncc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-12(8-17-2,11(15)16)14-10-6-4-3-5-9(10)7-13-14/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyNXXKHLUBVIVGRI-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid (CID 115002905) is 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid is COCC(C)(C(=O)O)n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid?
The InChIKey is NXXKHLUBVIVGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(8-17-2,11(15)16)14-10-6-4-3-5-9(10)7-13-14/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid?
2-indazol-1-yl-3-methoxy-2-methylpropanoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115002905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).