2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid

C11H16N2O2 — CID 83858845

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H16N2O2/c1-2-7(11(14)15)10-8-5-3-4-6-9(8)12-13-10/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyMMYYLVAYCIFQMD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds3

About 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid

2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid (PubChem CID 83858845) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
PubChem CID83858845
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H16N2O2/c1-2-7(11(14)15)10-8-5-3-4-6-9(8)12-13-10/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyMMYYLVAYCIFQMD-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic 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-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid (CID 83858845) is 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid is CCC(C(=O)O)c1n[nH]c2c1CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The InChIKey is MMYYLVAYCIFQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-7(11(14)15)10-8-5-3-4-6-9(8)12-13-10/h7H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid is sourced from PubChem (CID 83858845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).