2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid

C13H14N2O2 — CID 105487842

IUPAC2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2c(C3CCC3)[nH]nc12
InChIInChI=1S/C13H14N2O2/c16-11(17)7-9-5-2-6-10-12(8-3-1-4-8)14-15-13(9)10/h2,5-6,8H,1,3-4,7H2,(H,14,15)(H,16,17)
InChIKeyCYXZFTFCFRHBFU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.46
Rot. Bonds3

About 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid

2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid (PubChem CID 105487842) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
PubChem CID105487842
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2c(C3CCC3)[nH]nc12
InChIInChI=1S/C13H14N2O2/c16-11(17)7-9-5-2-6-10-12(8-3-1-4-8)14-15-13(9)10/h2,5-6,8H,1,3-4,7H2,(H,14,15)(H,16,17)
InChIKeyCYXZFTFCFRHBFU-UHFFFAOYSA-N
XLogP2.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid?
The IUPAC name of 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid (CID 105487842) is 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid?
The canonical SMILES for 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid is O=C(O)Cc1cccc2c(C3CCC3)[nH]nc12.
What is the InChIKey of 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid?
The InChIKey is CYXZFTFCFRHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11(17)7-9-5-2-6-10-12(8-3-1-4-8)14-15-13(9)10/h2,5-6,8H,1,3-4,7H2,(H,14,15)(H,16,17).
What are the key properties of 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid?
2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid is sourced from PubChem (CID 105487842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).