3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid

C11H12N2O3 — CID 84685431

IUPAC3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
SMILESCn1nc(CCC(=O)O)c2cccc(O)c21
InChIInChI=1S/C11H12N2O3/c1-13-11-7(3-2-4-9(11)14)8(12-13)5-6-10(15)16/h2-4,14H,5-6H2,1H3,(H,15,16)
InChIKeyQNPBBPCDKPFZET-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.30
Rot. Bonds3

About 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid

3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid (PubChem CID 84685431) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
PubChem CID84685431
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
SMILESCn1nc(CCC(=O)O)c2cccc(O)c21
InChIInChI=1S/C11H12N2O3/c1-13-11-7(3-2-4-9(11)14)8(12-13)5-6-10(15)16/h2-4,14H,5-6H2,1H3,(H,15,16)
InChIKeyQNPBBPCDKPFZET-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid?
The IUPAC name of 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid (CID 84685431) is 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid?
The canonical SMILES for 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid is Cn1nc(CCC(=O)O)c2cccc(O)c21.
What is the InChIKey of 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid?
The InChIKey is QNPBBPCDKPFZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-11-7(3-2-4-9(11)14)8(12-13)5-6-10(15)16/h2-4,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid?
3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid is sourced from PubChem (CID 84685431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).