3-(6-methylindazol-1-yl)propanoic acid

C11H12N2O2 — CID 84672230

IUPAC3-(6-methylindazol-1-yl)propanoic acid
SMILESCc1ccc2cnn(CCC(=O)O)c2c1
InChIInChI=1S/C11H12N2O2/c1-8-2-3-9-7-12-13(10(9)6-8)5-4-11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyBESPFRRPYKKFGB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.82
Rot. Bonds3

About 3-(6-methylindazol-1-yl)propanoic acid

3-(6-methylindazol-1-yl)propanoic acid (PubChem CID 84672230) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(6-methylindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methylindazol-1-yl)propanoic acid
PubChem CID84672230
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(6-methylindazol-1-yl)propanoic acid
SMILESCc1ccc2cnn(CCC(=O)O)c2c1
InChIInChI=1S/C11H12N2O2/c1-8-2-3-9-7-12-13(10(9)6-8)5-4-11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyBESPFRRPYKKFGB-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylindazol-1-yl)propanoic acid?
The IUPAC name of 3-(6-methylindazol-1-yl)propanoic acid (CID 84672230) is 3-(6-methylindazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(6-methylindazol-1-yl)propanoic acid?
The canonical SMILES for 3-(6-methylindazol-1-yl)propanoic acid is Cc1ccc2cnn(CCC(=O)O)c2c1.
What is the InChIKey of 3-(6-methylindazol-1-yl)propanoic acid?
The InChIKey is BESPFRRPYKKFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-2-3-9-7-12-13(10(9)6-8)5-4-11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-(6-methylindazol-1-yl)propanoic acid?
3-(6-methylindazol-1-yl)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylindazol-1-yl)propanoic acid is sourced from PubChem (CID 84672230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).