2-indazol-2-yl-3-methylbutanoic acid

C12H14N2O2 — CID 50986535

IUPAC2-indazol-2-yl-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)n1cc2ccccc2n1
InChIInChI=1S/C12H14N2O2/c1-8(2)11(12(15)16)14-7-9-5-3-4-6-10(9)13-14/h3-8,11H,1-2H3,(H,15,16)
InChIKeyGZTOQGBQYBOWGV-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.32
Rot. Bonds3

About 2-indazol-2-yl-3-methylbutanoic acid

2-indazol-2-yl-3-methylbutanoic acid (PubChem CID 50986535) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-indazol-2-yl-3-methylbutanoic acid.

Molecular Properties

Compound Name2-indazol-2-yl-3-methylbutanoic acid
PubChem CID50986535
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-indazol-2-yl-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)n1cc2ccccc2n1
InChIInChI=1S/C12H14N2O2/c1-8(2)11(12(15)16)14-7-9-5-3-4-6-10(9)13-14/h3-8,11H,1-2H3,(H,15,16)
InChIKeyGZTOQGBQYBOWGV-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Inz-1
CID 3243873
(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
2-(3-phenyl-1H-indazol-1-yl)propanoic acid
CID 20888249
2-(6-Chloroindazol-1-yl)acetic acid
CID 13337779
3-(1H-indazol-1-yl)propanoic acid
CID 805922
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
1H-Indazol-1-ylacetic acid
CID 6422830
1H-Indazole-1-acetic acid, 3-phenyl-
CID 5309553
4-(3-phenyl-1H-indazol-1-yl)butanoic acid
CID 5307487

Frequently Asked Questions

What is the IUPAC name of 2-indazol-2-yl-3-methylbutanoic acid?
The IUPAC name of 2-indazol-2-yl-3-methylbutanoic acid (CID 50986535) is 2-indazol-2-yl-3-methylbutanoic acid.
What is the SMILES notation for 2-indazol-2-yl-3-methylbutanoic acid?
The canonical SMILES for 2-indazol-2-yl-3-methylbutanoic acid is CC(C)C(C(=O)O)n1cc2ccccc2n1.
What is the InChIKey of 2-indazol-2-yl-3-methylbutanoic acid?
The InChIKey is GZTOQGBQYBOWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)11(12(15)16)14-7-9-5-3-4-6-10(9)13-14/h3-8,11H,1-2H3,(H,15,16).
What are the key properties of 2-indazol-2-yl-3-methylbutanoic acid?
2-indazol-2-yl-3-methylbutanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-2-yl-3-methylbutanoic acid is sourced from PubChem (CID 50986535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).