2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid

C13H16N2O2 — CID 84726632

IUPAC2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid
SMILESCc1c2cc(CC(=O)O)ccc2nn1C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)15-9(3)11-6-10(7-13(16)17)4-5-12(11)14-15/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyXJFUUWIFHARQSU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid

2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid (PubChem CID 84726632) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid
PubChem CID84726632
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid
SMILESCc1c2cc(CC(=O)O)ccc2nn1C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)15-9(3)11-6-10(7-13(16)17)4-5-12(11)14-15/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyXJFUUWIFHARQSU-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169420696
2-[2-[(4-methylphenyl)methyl]benzotriazol-5-yl]acetic acid
CID 83968747
3-[6-(carboxymethyl)-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl]propanoic acid
CID 82240388
3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid
CID 84727251
5-bromo-2-propan-2-ylindazole-3-carboxylic acid
CID 84730622
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
2-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247596
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142139
2-[2-[2-(diethylamino)-2-oxoethyl]benzotriazol-5-yl]acetic acid
CID 83968742

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid (CID 84726632) is 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid is Cc1c2cc(CC(=O)O)ccc2nn1C(C)C.
What is the InChIKey of 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid?
The InChIKey is XJFUUWIFHARQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)15-9(3)11-6-10(7-13(16)17)4-5-12(11)14-15/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid?
2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid is sourced from PubChem (CID 84726632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).