2-amino-3-(1H-indol-2-yl)benzoic acid

C15H12N2O2 — CID 150652093

IUPAC2-amino-3-(1H-indol-2-yl)benzoic acid
SMILESNc1c(C(=O)O)cccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O2/c16-14-10(5-3-6-11(14)15(18)19)13-8-9-4-1-2-7-12(9)17-13/h1-8,17H,16H2,(H,18,19)
InChIKeyJCBZCPIEMWSTNC-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.12
Rot. Bonds2

About 2-amino-3-(1H-indol-2-yl)benzoic acid

2-amino-3-(1H-indol-2-yl)benzoic acid (PubChem CID 150652093) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(1H-indol-2-yl)benzoic acid
PubChem CID150652093
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-amino-3-(1H-indol-2-yl)benzoic acid
SMILESNc1c(C(=O)O)cccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O2/c16-14-10(5-3-6-11(14)15(18)19)13-8-9-4-1-2-7-12(9)17-13/h1-8,17H,16H2,(H,18,19)
InChIKeyJCBZCPIEMWSTNC-UHFFFAOYSA-N
XLogP3.12
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
CID 82388435
3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid
CID 174627540
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
CID 68641137
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
[2-(1H-indol-2-yl)phenyl] acetate
CID 155537678
2-(2-iodophenyl)-1H-indole
CID 12996175
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one
CID 58139269

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-2-yl)benzoic acid?
The IUPAC name of 2-amino-3-(1H-indol-2-yl)benzoic acid (CID 150652093) is 2-amino-3-(1H-indol-2-yl)benzoic acid.
What is the SMILES notation for 2-amino-3-(1H-indol-2-yl)benzoic acid?
The canonical SMILES for 2-amino-3-(1H-indol-2-yl)benzoic acid is Nc1c(C(=O)O)cccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2-amino-3-(1H-indol-2-yl)benzoic acid?
The InChIKey is JCBZCPIEMWSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-14-10(5-3-6-11(14)15(18)19)13-8-9-4-1-2-7-12(9)17-13/h1-8,17H,16H2,(H,18,19).
What are the key properties of 2-amino-3-(1H-indol-2-yl)benzoic acid?
2-amino-3-(1H-indol-2-yl)benzoic acid has a molecular weight of 252.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-2-yl)benzoic acid is sourced from PubChem (CID 150652093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).