3-(7-methoxy-2H-indazol-3-yl)propanoic acid

C11H12N2O3 — CID 23071129

IUPAC3-(7-methoxy-2H-indazol-3-yl)propanoic acid
SMILESCOc1cccc2c(CCC(=O)O)[nH]nc12
InChIInChI=1S/C11H12N2O3/c1-16-9-4-2-3-7-8(5-6-10(14)15)12-13-11(7)9/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyWGSHXQJNKRWLMY-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.59
Rot. Bonds4

About 3-(7-methoxy-2H-indazol-3-yl)propanoic acid

3-(7-methoxy-2H-indazol-3-yl)propanoic acid (PubChem CID 23071129) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(7-methoxy-2H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methoxy-2H-indazol-3-yl)propanoic acid
PubChem CID23071129
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(7-methoxy-2H-indazol-3-yl)propanoic acid
SMILESCOc1cccc2c(CCC(=O)O)[nH]nc12
InChIInChI=1S/C11H12N2O3/c1-16-9-4-2-3-7-8(5-6-10(14)15)12-13-11(7)9/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyWGSHXQJNKRWLMY-UHFFFAOYSA-N
XLogP1.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2H-indazol-3-yl)propanoic acid?
The IUPAC name of 3-(7-methoxy-2H-indazol-3-yl)propanoic acid (CID 23071129) is 3-(7-methoxy-2H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-methoxy-2H-indazol-3-yl)propanoic acid?
The canonical SMILES for 3-(7-methoxy-2H-indazol-3-yl)propanoic acid is COc1cccc2c(CCC(=O)O)[nH]nc12.
What is the InChIKey of 3-(7-methoxy-2H-indazol-3-yl)propanoic acid?
The InChIKey is WGSHXQJNKRWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-9-4-2-3-7-8(5-6-10(14)15)12-13-11(7)9/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(7-methoxy-2H-indazol-3-yl)propanoic acid?
3-(7-methoxy-2H-indazol-3-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 23071129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).