2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid

C11H16N2O2 — CID 83863635

IUPAC2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid
SMILESCC1(C)CCc2c(CC(=O)O)n[nH]c2C1
InChIInChI=1S/C11H16N2O2/c1-11(2)4-3-7-8(5-10(14)15)12-13-9(7)6-11/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJYSAJTLNVIFYIQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds2

About 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid

2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid (PubChem CID 83863635) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid
PubChem CID83863635
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid
SMILESCC1(C)CCc2c(CC(=O)O)n[nH]c2C1
InChIInChI=1S/C11H16N2O2/c1-11(2)4-3-7-8(5-10(14)15)12-13-9(7)6-11/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJYSAJTLNVIFYIQ-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid?
The IUPAC name of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid (CID 83863635) is 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid.
What is the SMILES notation for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid?
The canonical SMILES for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid is CC1(C)CCc2c(CC(=O)O)n[nH]c2C1.
What is the InChIKey of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid?
The InChIKey is JYSAJTLNVIFYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2)4-3-7-8(5-10(14)15)12-13-9(7)6-11/h3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid?
2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid is sourced from PubChem (CID 83863635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).