3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

C10H14N2O2 — CID 6483899

IUPAC3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESO=C(O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)
InChIKeyFXWSNXDIXJGVBI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (PubChem CID 6483899) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
PubChem CID6483899
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESO=C(O)CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)
InChIKeyFXWSNXDIXJGVBI-UHFFFAOYSA-N
XLogP1.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (CID 6483899) is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is O=C(O)CCc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The InChIKey is FXWSNXDIXJGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 6483899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).