3-amino-2-indazol-1-ylpropanoic acid

C10H11N3O2 — CID 64694825

IUPAC3-amino-2-indazol-1-ylpropanoic acid
SMILESNCC(C(=O)O)n1ncc2ccccc21
InChIInChI=1S/C10H11N3O2/c11-5-9(10(14)15)13-8-4-2-1-3-7(8)6-12-13/h1-4,6,9H,5,11H2,(H,14,15)
InChIKeySLSSNERXWQASER-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.62
Rot. Bonds3

About 3-amino-2-indazol-1-ylpropanoic acid

3-amino-2-indazol-1-ylpropanoic acid (PubChem CID 64694825) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-amino-2-indazol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-indazol-1-ylpropanoic acid
PubChem CID64694825
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-amino-2-indazol-1-ylpropanoic acid
SMILESNCC(C(=O)O)n1ncc2ccccc21
InChIInChI=1S/C10H11N3O2/c11-5-9(10(14)15)13-8-4-2-1-3-7(8)6-12-13/h1-4,6,9H,5,11H2,(H,14,15)
InChIKeySLSSNERXWQASER-UHFFFAOYSA-N
XLogP0.62
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-indazol-1-ylpropanoic 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-amino-2-indazol-1-ylpropanoic acid?
The IUPAC name of 3-amino-2-indazol-1-ylpropanoic acid (CID 64694825) is 3-amino-2-indazol-1-ylpropanoic acid.
What is the SMILES notation for 3-amino-2-indazol-1-ylpropanoic acid?
The canonical SMILES for 3-amino-2-indazol-1-ylpropanoic acid is NCC(C(=O)O)n1ncc2ccccc21.
What is the InChIKey of 3-amino-2-indazol-1-ylpropanoic acid?
The InChIKey is SLSSNERXWQASER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-5-9(10(14)15)13-8-4-2-1-3-7(8)6-12-13/h1-4,6,9H,5,11H2,(H,14,15).
What are the key properties of 3-amino-2-indazol-1-ylpropanoic acid?
3-amino-2-indazol-1-ylpropanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-indazol-1-ylpropanoic acid is sourced from PubChem (CID 64694825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).