3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid

C10H14N2O2 — CID 16765314

IUPAC3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
SMILESO=C(O)CCn1ncc2c1CCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h7H,1-6H2,(H,13,14)
InChIKeyMPVUUVBXIBMYNJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.24
Rot. Bonds3

About 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid

3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid (PubChem CID 16765314) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
PubChem CID16765314
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
SMILESO=C(O)CCn1ncc2c1CCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h7H,1-6H2,(H,13,14)
InChIKeyMPVUUVBXIBMYNJ-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The IUPAC name of 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid (CID 16765314) is 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid is O=C(O)CCn1ncc2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The InChIKey is MPVUUVBXIBMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)5-6-12-9-4-2-1-3-8(9)7-11-12/h7H,1-6H2,(H,13,14).
What are the key properties of 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydroindazol-1-yl)propanoic acid is sourced from PubChem (CID 16765314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).