3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid

C11H16N2O2 — CID 21258074

IUPAC3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
SMILESCn1nc2c(c1CCC(=O)O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-13-10(6-7-11(14)15)8-4-2-3-5-9(8)12-13/h2-7H2,1H3,(H,14,15)
InChIKeyYURWHRXRFUTRKV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.32
Rot. Bonds3

About 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid

3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid (PubChem CID 21258074) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
PubChem CID21258074
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
SMILESCn1nc2c(c1CCC(=O)O)CCCC2
InChIInChI=1S/C11H16N2O2/c1-13-10(6-7-11(14)15)8-4-2-3-5-9(8)12-13/h2-7H2,1H3,(H,14,15)
InChIKeyYURWHRXRFUTRKV-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid (CID 21258074) is 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid is Cn1nc2c(c1CCC(=O)O)CCCC2.
What is the InChIKey of 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
The InChIKey is YURWHRXRFUTRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-10(6-7-11(14)15)8-4-2-3-5-9(8)12-13/h2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid is sourced from PubChem (CID 21258074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).