4-(1,3-dimethylindazol-6-yl)butanoic acid

C13H16N2O2 — CID 117336304

IUPAC4-(1,3-dimethylindazol-6-yl)butanoic acid
SMILESCc1nn(C)c2cc(CCCC(=O)O)ccc12
InChIInChI=1S/C13H16N2O2/c1-9-11-7-6-10(4-3-5-13(16)17)8-12(11)15(2)14-9/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyLNHGZLHSFLLCMP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.29
Rot. Bonds4

About 4-(1,3-dimethylindazol-6-yl)butanoic acid

4-(1,3-dimethylindazol-6-yl)butanoic acid (PubChem CID 117336304) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(1,3-dimethylindazol-6-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,3-dimethylindazol-6-yl)butanoic acid
PubChem CID117336304
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(1,3-dimethylindazol-6-yl)butanoic acid
SMILESCc1nn(C)c2cc(CCCC(=O)O)ccc12
InChIInChI=1S/C13H16N2O2/c1-9-11-7-6-10(4-3-5-13(16)17)8-12(11)15(2)14-9/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyLNHGZLHSFLLCMP-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dimethylindazol-6-yl)propan-1-ol
CID 117292757
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
3-(1,6-dimethylindazol-3-yl)propanoic acid
CID 83910195
4-(4-methylisoquinolin-7-yl)butanoic acid
CID 117330539
3-(3-ethyl-1-methylindazol-5-yl)propanoic acid
CID 105491060
2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
3-(1-ethyl-3-oxo-2,1-benzoxazol-6-yl)propanoic acid
CID 105495890
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
6-fluoro-1,3-dimethylindazole
CID 59514053
4-[5-(hydroxymethyl)-1,2-dimethylindol-3-yl]butanoic acid
CID 58120304
6-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)hexanoic acid
CID 98033149
4-(4-methyl-3-methylsulfanylphenyl)butanoic acid
CID 117322469

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylindazol-6-yl)butanoic acid?
The IUPAC name of 4-(1,3-dimethylindazol-6-yl)butanoic acid (CID 117336304) is 4-(1,3-dimethylindazol-6-yl)butanoic acid.
What is the SMILES notation for 4-(1,3-dimethylindazol-6-yl)butanoic acid?
The canonical SMILES for 4-(1,3-dimethylindazol-6-yl)butanoic acid is Cc1nn(C)c2cc(CCCC(=O)O)ccc12.
What is the InChIKey of 4-(1,3-dimethylindazol-6-yl)butanoic acid?
The InChIKey is LNHGZLHSFLLCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-11-7-6-10(4-3-5-13(16)17)8-12(11)15(2)14-9/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-(1,3-dimethylindazol-6-yl)butanoic acid?
4-(1,3-dimethylindazol-6-yl)butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylindazol-6-yl)butanoic acid is sourced from PubChem (CID 117336304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).