2-(2-ethylindazol-4-yl)propanoic acid

C12H14N2O2 — CID 84724287

IUPAC2-(2-ethylindazol-4-yl)propanoic acid
SMILESCCn1cc2c(C(C)C(=O)O)cccc2n1
InChIInChI=1S/C12H14N2O2/c1-3-14-7-10-9(8(2)12(15)16)5-4-6-11(10)13-14/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyNSYJOTHTYPWIGF-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-ethylindazol-4-yl)propanoic acid

2-(2-ethylindazol-4-yl)propanoic acid (PubChem CID 84724287) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-ethylindazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethylindazol-4-yl)propanoic acid
PubChem CID84724287
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-ethylindazol-4-yl)propanoic acid
SMILESCCn1cc2c(C(C)C(=O)O)cccc2n1
InChIInChI=1S/C12H14N2O2/c1-3-14-7-10-9(8(2)12(15)16)5-4-6-11(10)13-14/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyNSYJOTHTYPWIGF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylindazol-7-yl)propanoic acid
CID 84724302
2-(2-methylpropyl)-4-propan-2-ylindazole
CID 146551588
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2,4-di(propan-2-yl)indazole
CID 166044650
(2S)-2-(7-hydroxynaphthalen-1-yl)propanoic acid
CID 124560296
2-(3-propan-2-ylbenzimidazol-4-yl)propanoic acid
CID 83895169
4-ethyl-2-(2-methylpropyl)indazole
CID 176962726
2-quinolin-4-ylpropanoic acid
CID 127018626
2-(1-propan-2-ylindazol-4-yl)propanoic acid
CID 84726671
2-(3-propan-2-ylbenzotriazol-4-yl)propanoic acid
CID 83895523
2-(2-ethoxy-3-formylphenyl)propanoic acid
CID 134658416
2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
CID 83879852

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylindazol-4-yl)propanoic acid?
The IUPAC name of 2-(2-ethylindazol-4-yl)propanoic acid (CID 84724287) is 2-(2-ethylindazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethylindazol-4-yl)propanoic acid?
The canonical SMILES for 2-(2-ethylindazol-4-yl)propanoic acid is CCn1cc2c(C(C)C(=O)O)cccc2n1.
What is the InChIKey of 2-(2-ethylindazol-4-yl)propanoic acid?
The InChIKey is NSYJOTHTYPWIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-14-7-10-9(8(2)12(15)16)5-4-6-11(10)13-14/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethylindazol-4-yl)propanoic acid?
2-(2-ethylindazol-4-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylindazol-4-yl)propanoic acid is sourced from PubChem (CID 84724287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).