3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid

C12H15N3O2 — CID 79624094

IUPAC3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1ncc2ccc(N)cc21)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-12(2,11(16)17)7-15-10-5-9(13)4-3-8(10)6-14-15/h3-6H,7,13H2,1-2H3,(H,16,17)
InChIKeyQWDFNOFTSZHSMR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.73
Rot. Bonds3

About 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid

3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 79624094) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid
PubChem CID79624094
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1ncc2ccc(N)cc21)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-12(2,11(16)17)7-15-10-5-9(13)4-3-8(10)6-14-15/h3-6H,7,13H2,1-2H3,(H,16,17)
InChIKeyQWDFNOFTSZHSMR-UHFFFAOYSA-N
XLogP1.73
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid (CID 79624094) is 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid is CC(C)(Cn1ncc2ccc(N)cc21)C(=O)O.
What is the InChIKey of 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is QWDFNOFTSZHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,11(16)17)7-15-10-5-9(13)4-3-8(10)6-14-15/h3-6H,7,13H2,1-2H3,(H,16,17).
What are the key properties of 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid?
3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79624094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).