2-(5-aminoindazol-2-yl)acetic acid

C9H9N3O2 — CID 122637062

IUPAC2-(5-aminoindazol-2-yl)acetic acid
SMILESNc1ccc2nn(CC(=O)O)cc2c1
InChIInChI=1S/C9H9N3O2/c10-7-1-2-8-6(3-7)4-12(11-8)5-9(13)14/h1-4H,5,10H2,(H,13,14)
InChIKeyURFZEGGLLLDGLS-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.70
Rot. Bonds2

About 2-(5-aminoindazol-2-yl)acetic acid

2-(5-aminoindazol-2-yl)acetic acid (PubChem CID 122637062) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(5-aminoindazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-aminoindazol-2-yl)acetic acid
PubChem CID122637062
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-(5-aminoindazol-2-yl)acetic acid
SMILESNc1ccc2nn(CC(=O)O)cc2c1
InChIInChI=1S/C9H9N3O2/c10-7-1-2-8-6(3-7)4-12(11-8)5-9(13)14/h1-4H,5,10H2,(H,13,14)
InChIKeyURFZEGGLLLDGLS-UHFFFAOYSA-N
XLogP0.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
1-methyl-1H-indazol-5-amine
CID 2768032
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
2-(3-phenyl-1H-indazol-1-yl)propanoic acid
CID 20888249
2-(6-Chloroindazol-1-yl)acetic acid
CID 13337779
3-(1H-indazol-1-yl)propanoic acid
CID 805922
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
1H-Indazol-1-ylacetic acid
CID 6422830
1H-Indazole-1-acetic acid, 3-phenyl-
CID 5309553
2-(3-methyl-1H-indazol-1-yl)propanoic acid
CID 3240603

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindazol-2-yl)acetic acid?
The IUPAC name of 2-(5-aminoindazol-2-yl)acetic acid (CID 122637062) is 2-(5-aminoindazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-aminoindazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-aminoindazol-2-yl)acetic acid is Nc1ccc2nn(CC(=O)O)cc2c1.
What is the InChIKey of 2-(5-aminoindazol-2-yl)acetic acid?
The InChIKey is URFZEGGLLLDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-7-1-2-8-6(3-7)4-12(11-8)5-9(13)14/h1-4H,5,10H2,(H,13,14).
What are the key properties of 2-(5-aminoindazol-2-yl)acetic acid?
2-(5-aminoindazol-2-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindazol-2-yl)acetic acid is sourced from PubChem (CID 122637062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).