3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid

C10H15N3O2 — CID 66782205

IUPAC3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
SMILESNC1CCCc2c1cnn2CCC(=O)O
InChIInChI=1S/C10H15N3O2/c11-8-2-1-3-9-7(8)6-12-13(9)5-4-10(14)15/h6,8H,1-5,11H2,(H,14,15)
InChIKeyQDQGLKKVMZPDOE-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.69
Rot. Bonds3

About 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid

3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid (PubChem CID 66782205) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
PubChem CID66782205
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
SMILESNC1CCCc2c1cnn2CCC(=O)O
InChIInChI=1S/C10H15N3O2/c11-8-2-1-3-9-7(8)6-12-13(9)5-4-10(14)15/h6,8H,1-5,11H2,(H,14,15)
InChIKeyQDQGLKKVMZPDOE-UHFFFAOYSA-N
XLogP0.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic 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 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid (CID 66782205) is 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid is NC1CCCc2c1cnn2CCC(=O)O.
What is the InChIKey of 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The InChIKey is QDQGLKKVMZPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-8-2-1-3-9-7(8)6-12-13(9)5-4-10(14)15/h6,8H,1-5,11H2,(H,14,15).
What are the key properties of 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid is sourced from PubChem (CID 66782205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).