2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid

C17H14N2O3 — CID 19101741

IUPAC2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
SMILESNc1cccc(C(=O)n2cc(CC(=O)O)c3ccccc32)c1
InChIInChI=1S/C17H14N2O3/c18-13-5-3-4-11(8-13)17(22)19-10-12(9-16(20)21)14-6-1-2-7-15(14)19/h1-8,10H,9,18H2,(H,20,21)
InChIKeyFGDUWOKAJPPJCW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.54
Rot. Bonds3

About 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid

2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid (PubChem CID 19101741) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
PubChem CID19101741
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
SMILESNc1cccc(C(=O)n2cc(CC(=O)O)c3ccccc32)c1
InChIInChI=1S/C17H14N2O3/c18-13-5-3-4-11(8-13)17(22)19-10-12(9-16(20)21)14-6-1-2-7-15(14)19/h1-8,10H,9,18H2,(H,20,21)
InChIKeyFGDUWOKAJPPJCW-UHFFFAOYSA-N
XLogP2.54
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid (CID 19101741) is 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid is Nc1cccc(C(=O)n2cc(CC(=O)O)c3ccccc32)c1.
What is the InChIKey of 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid?
The InChIKey is FGDUWOKAJPPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-13-5-3-4-11(8-13)17(22)19-10-12(9-16(20)21)14-6-1-2-7-15(14)19/h1-8,10H,9,18H2,(H,20,21).
What are the key properties of 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid?
2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid is sourced from PubChem (CID 19101741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).