2-[(3R)-3H-indazol-3-yl]acetic acid

C9H8N2O2 — CID 95969944

IUPAC2-[(3R)-3H-indazol-3-yl]acetic acid
SMILESO=C(O)C[C@H]1N=Nc2ccccc21
InChIInChI=1S/C9H8N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-4,8H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyFBSYJAMLGCFWEL-MRVPVSSYSA-N
MW176.17 g/mol
LogP2.30
Rot. Bonds2

About 2-[(3R)-3H-indazol-3-yl]acetic acid

2-[(3R)-3H-indazol-3-yl]acetic acid (PubChem CID 95969944) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[(3R)-3H-indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3H-indazol-3-yl]acetic acid
PubChem CID95969944
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-[(3R)-3H-indazol-3-yl]acetic acid
SMILESO=C(O)C[C@H]1N=Nc2ccccc21
InChIInChI=1S/C9H8N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-4,8H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyFBSYJAMLGCFWEL-MRVPVSSYSA-N
XLogP2.30
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3H-indazol-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-3H-indazol-3-yl]acetic acid (CID 95969944) is 2-[(3R)-3H-indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3H-indazol-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3H-indazol-3-yl]acetic acid is O=C(O)C[C@H]1N=Nc2ccccc21.
What is the InChIKey of 2-[(3R)-3H-indazol-3-yl]acetic acid?
The InChIKey is FBSYJAMLGCFWEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-4,8H,5H2,(H,12,13)/t8-/m1/s1.
What are the key properties of 2-[(3R)-3H-indazol-3-yl]acetic acid?
2-[(3R)-3H-indazol-3-yl]acetic acid has a molecular weight of 176.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3H-indazol-3-yl]acetic acid is sourced from PubChem (CID 95969944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).