2-[1H-indazol-5-yl(methyl)amino]acetic acid

C10H11N3O2 — CID 83819829

IUPAC2-[1H-indazol-5-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H11N3O2/c1-13(6-10(14)15)8-2-3-9-7(4-8)5-11-12-9/h2-5H,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyHEMNWOJFNMKXAF-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.08
Rot. Bonds3

About 2-[1H-indazol-5-yl(methyl)amino]acetic acid

2-[1H-indazol-5-yl(methyl)amino]acetic acid (PubChem CID 83819829) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[1H-indazol-5-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1H-indazol-5-yl(methyl)amino]acetic acid
PubChem CID83819829
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[1H-indazol-5-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H11N3O2/c1-13(6-10(14)15)8-2-3-9-7(4-8)5-11-12-9/h2-5H,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyHEMNWOJFNMKXAF-UHFFFAOYSA-N
XLogP1.08
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1H-indazol-5-yl(methyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
CID 117099443
2-(1H-indazol-5-yl)acetic acid
CID 39103838
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-methyl-1H-indazole-5-carboxamide
CID 22934041
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(1H-indazol-5-yl)-N-pyridin-3-ylpentanamide
CID 126523658
N-(1H-indazol-5-yl)-N-pyridin-3-ylbenzamide
CID 118947884
N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
CID 117073123
4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide
CID 118948681
N-(dimethylaminomethylidene)-1H-indazole-5-carboxamide
CID 141183520
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
2-(1H-indazol-5-ylamino)butanedioic acid
CID 21102094

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indazol-5-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[1H-indazol-5-yl(methyl)amino]acetic acid (CID 83819829) is 2-[1H-indazol-5-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[1H-indazol-5-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[1H-indazol-5-yl(methyl)amino]acetic acid is CN(CC(=O)O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[1H-indazol-5-yl(methyl)amino]acetic acid?
The InChIKey is HEMNWOJFNMKXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13(6-10(14)15)8-2-3-9-7(4-8)5-11-12-9/h2-5H,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[1H-indazol-5-yl(methyl)amino]acetic acid?
2-[1H-indazol-5-yl(methyl)amino]acetic acid has a molecular weight of 205.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indazol-5-yl(methyl)amino]acetic acid is sourced from PubChem (CID 83819829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).