5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid

C17H15N3O3 — CID 75469207

IUPAC5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)Cn2ncc3ccccc32)cc1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-11-6-7-13(8-14(11)17(22)23)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyLJGHVWPYLIBNTA-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.68
Rot. Bonds4

About 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid

5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid (PubChem CID 75469207) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
PubChem CID75469207
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)Cn2ncc3ccccc32)cc1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-11-6-7-13(8-14(11)17(22)23)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyLJGHVWPYLIBNTA-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131952566
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
CID 71869717
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085

Frequently Asked Questions

What is the IUPAC name of 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid (CID 75469207) is 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)Cn2ncc3ccccc32)cc1C(=O)O.
What is the InChIKey of 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid?
The InChIKey is LJGHVWPYLIBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-6-7-13(8-14(11)17(22)23)19-16(21)10-20-15-5-3-2-4-12(15)9-18-20/h2-9H,10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid?
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 75469207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).