2-[amino(indazol-1-yl)methyl]benzoic acid

C15H13N3O2 — CID 54451882

IUPAC2-[amino(indazol-1-yl)methyl]benzoic acid
SMILESNC(c1ccccc1C(=O)O)n1ncc2ccccc21
InChIInChI=1S/C15H13N3O2/c16-14(11-6-2-3-7-12(11)15(19)20)18-13-8-4-1-5-10(13)9-17-18/h1-9,14H,16H2,(H,19,20)
InChIKeyWVNGWTQAOZTMKR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds3

About 2-[amino(indazol-1-yl)methyl]benzoic acid

2-[amino(indazol-1-yl)methyl]benzoic acid (PubChem CID 54451882) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[amino(indazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[amino(indazol-1-yl)methyl]benzoic acid
PubChem CID54451882
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[amino(indazol-1-yl)methyl]benzoic acid
SMILESNC(c1ccccc1C(=O)O)n1ncc2ccccc21
InChIInChI=1S/C15H13N3O2/c16-14(11-6-2-3-7-12(11)15(19)20)18-13-8-4-1-5-10(13)9-17-18/h1-9,14H,16H2,(H,19,20)
InChIKeyWVNGWTQAOZTMKR-UHFFFAOYSA-N
XLogP2.24
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[amino(indazol-1-yl)methyl]benzoic 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

3-amino-2-indazol-1-ylpropanoic acid
CID 64694825
1-(2-bromophenyl)-1-indazol-1-ylpropan-2-amine
CID 62142252
2-indazol-1-yl-3-methylbutanehydrazide
CID 63577978
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 66516096
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
2-chloro-5-indazol-1-ylbenzoic acid
CID 82514553
indazole-1-carboxamide;trihydrochloride
CID 173083346
2-[(1S)-1,3-diaminopropyl]benzoic acid
CID 171220788
2-(1-amino-2-hydroxypropyl)benzoic acid
CID 55269220
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 67299553
2-[(1S)-1-amino-3-methylbut-3-enyl]benzoic acid
CID 171220824

Frequently Asked Questions

What is the IUPAC name of 2-[amino(indazol-1-yl)methyl]benzoic acid?
The IUPAC name of 2-[amino(indazol-1-yl)methyl]benzoic acid (CID 54451882) is 2-[amino(indazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[amino(indazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-[amino(indazol-1-yl)methyl]benzoic acid is NC(c1ccccc1C(=O)O)n1ncc2ccccc21.
What is the InChIKey of 2-[amino(indazol-1-yl)methyl]benzoic acid?
The InChIKey is WVNGWTQAOZTMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14(11-6-2-3-7-12(11)15(19)20)18-13-8-4-1-5-10(13)9-17-18/h1-9,14H,16H2,(H,19,20).
What are the key properties of 2-[amino(indazol-1-yl)methyl]benzoic acid?
2-[amino(indazol-1-yl)methyl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(indazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 54451882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).