2-(1-propan-2-ylindazol-4-yl)propanoic acid

C13H16N2O2 — CID 84726671

IUPAC2-(1-propan-2-ylindazol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1cnn2C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)15-12-6-4-5-10(9(3)13(16)17)11(12)7-14-15/h4-9H,1-3H3,(H,16,17)
InChIKeyABLYHXJVAFCFRY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.81
Rot. Bonds3

About 2-(1-propan-2-ylindazol-4-yl)propanoic acid

2-(1-propan-2-ylindazol-4-yl)propanoic acid (PubChem CID 84726671) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1-propan-2-ylindazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-propan-2-ylindazol-4-yl)propanoic acid
PubChem CID84726671
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1-propan-2-ylindazol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1cnn2C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)15-12-6-4-5-10(9(3)13(16)17)11(12)7-14-15/h4-9H,1-3H3,(H,16,17)
InChIKeyABLYHXJVAFCFRY-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-propan-2-ylindazole
CID 139297350
4-bromo-1-propan-2-ylindazole
CID 84727907
2-(5-bromo-1-propan-2-ylpyrazol-4-yl)propanoic acid
CID 84806699
2-(3-propan-2-ylbenzotriazol-4-yl)propanoic acid
CID 83895523
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-pyrazolo[1,5-a]pyridin-4-ylpropanoic acid
CID 83877395
2-anthracen-1-ylpropanoic acid
CID 57031488
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-(1-methylisoquinolin-5-yl)propanoic acid
CID 58093528
2-(2-ethylindazol-4-yl)propanoic acid
CID 84724287
1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 137277698
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylindazol-4-yl)propanoic acid?
The IUPAC name of 2-(1-propan-2-ylindazol-4-yl)propanoic acid (CID 84726671) is 2-(1-propan-2-ylindazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-propan-2-ylindazol-4-yl)propanoic acid?
The canonical SMILES for 2-(1-propan-2-ylindazol-4-yl)propanoic acid is CC(C(=O)O)c1cccc2c1cnn2C(C)C.
What is the InChIKey of 2-(1-propan-2-ylindazol-4-yl)propanoic acid?
The InChIKey is ABLYHXJVAFCFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)15-12-6-4-5-10(9(3)13(16)17)11(12)7-14-15/h4-9H,1-3H3,(H,16,17).
What are the key properties of 2-(1-propan-2-ylindazol-4-yl)propanoic acid?
2-(1-propan-2-ylindazol-4-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylindazol-4-yl)propanoic acid is sourced from PubChem (CID 84726671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).