2-(3-methylindazol-1-yl)propanoic acid

C11H12N2O2 — CID 3240603

IUPAC2-(3-methylindazol-1-yl)propanoic acid
SMILESCc1nn(C(C)C(=O)O)c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-7-9-5-3-4-6-10(9)13(12-7)8(2)11(14)15/h3-6,8H,1-2H3,(H,14,15)
InChIKeyPVNBPTRIKXGVFI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.99
Rot. Bonds2

About 2-(3-methylindazol-1-yl)propanoic acid

2-(3-methylindazol-1-yl)propanoic acid (PubChem CID 3240603) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)propanoic acid
PubChem CID3240603
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-methylindazol-1-yl)propanoic acid
SMILESCc1nn(C(C)C(=O)O)c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-7-9-5-3-4-6-10(9)13(12-7)8(2)11(14)15/h3-6,8H,1-2H3,(H,14,15)
InChIKeyPVNBPTRIKXGVFI-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylindazol-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 2-(3-methylindazol-1-yl)propanoic acid?
The IUPAC name of 2-(3-methylindazol-1-yl)propanoic acid (CID 3240603) is 2-(3-methylindazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-methylindazol-1-yl)propanoic acid?
The canonical SMILES for 2-(3-methylindazol-1-yl)propanoic acid is Cc1nn(C(C)C(=O)O)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)propanoic acid?
The InChIKey is PVNBPTRIKXGVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-9-5-3-4-6-10(9)13(12-7)8(2)11(14)15/h3-6,8H,1-2H3,(H,14,15).
What are the key properties of 2-(3-methylindazol-1-yl)propanoic acid?
2-(3-methylindazol-1-yl)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)propanoic acid is sourced from PubChem (CID 3240603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).