3-(1,6-dimethylindazol-3-yl)propanoic acid

C12H14N2O2 — CID 83910195

IUPAC3-(1,6-dimethylindazol-3-yl)propanoic acid
SMILESCc1ccc2c(CCC(=O)O)nn(C)c2c1
InChIInChI=1S/C12H14N2O2/c1-8-3-4-9-10(5-6-12(15)16)13-14(2)11(9)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyBCGKKIDHNYMEIQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.90
Rot. Bonds3

About 3-(1,6-dimethylindazol-3-yl)propanoic acid

3-(1,6-dimethylindazol-3-yl)propanoic acid (PubChem CID 83910195) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(1,6-dimethylindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,6-dimethylindazol-3-yl)propanoic acid
PubChem CID83910195
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(1,6-dimethylindazol-3-yl)propanoic acid
SMILESCc1ccc2c(CCC(=O)O)nn(C)c2c1
InChIInChI=1S/C12H14N2O2/c1-8-3-4-9-10(5-6-12(15)16)13-14(2)11(9)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyBCGKKIDHNYMEIQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
CID 83910246
3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
CID 84685431
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
3-(3-ethyl-1-methylindazol-5-yl)propanoic acid
CID 105491060
3-(6-methoxy-1-methylindazol-3-yl)-N,N-dimethylpropanamide
CID 70659969
1,6-dimethylindazole-3-carbaldehyde
CID 20781370
tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-methylindazole-1-carboxylate
CID 70660042
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
3-(1,5-dimethylimidazol-4-yl)propanoic acid
CID 84653027
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-benzyl-2,6-dimethylphthalazin-1-one
CID 15959130

Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dimethylindazol-3-yl)propanoic acid?
The IUPAC name of 3-(1,6-dimethylindazol-3-yl)propanoic acid (CID 83910195) is 3-(1,6-dimethylindazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1,6-dimethylindazol-3-yl)propanoic acid?
The canonical SMILES for 3-(1,6-dimethylindazol-3-yl)propanoic acid is Cc1ccc2c(CCC(=O)O)nn(C)c2c1.
What is the InChIKey of 3-(1,6-dimethylindazol-3-yl)propanoic acid?
The InChIKey is BCGKKIDHNYMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-4-9-10(5-6-12(15)16)13-14(2)11(9)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(1,6-dimethylindazol-3-yl)propanoic acid?
3-(1,6-dimethylindazol-3-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,6-dimethylindazol-3-yl)propanoic acid is sourced from PubChem (CID 83910195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).