1-aminoindole-4-carboxylic acid

C9H8N2O2 — CID 141215789

IUPAC1-aminoindole-4-carboxylic acid
SMILESNn1ccc2c(C(=O)O)cccc21
InChIInChI=1S/C9H8N2O2/c10-11-5-4-6-7(9(12)13)2-1-3-8(6)11/h1-5H,10H2,(H,12,13)
InChIKeyBAIVPRKALCFIJS-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.05
Rot. Bonds1

About 1-aminoindole-4-carboxylic acid

1-aminoindole-4-carboxylic acid (PubChem CID 141215789) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-aminoindole-4-carboxylic acid.

Molecular Properties

Compound Name1-aminoindole-4-carboxylic acid
PubChem CID141215789
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-aminoindole-4-carboxylic acid
SMILESNn1ccc2c(C(=O)O)cccc21
InChIInChI=1S/C9H8N2O2/c10-11-5-4-6-7(9(12)13)2-1-3-8(6)11/h1-5H,10H2,(H,12,13)
InChIKeyBAIVPRKALCFIJS-UHFFFAOYSA-N
XLogP1.05
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylindole-4-carboxylic acid
CID 68840218
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
CID 43316624
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole-4-carboxylic acid
CID 106438900
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
1-(2,2,3,3,3-pentafluoropropyl)indole-4-carboxylic acid
CID 121494134
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
1-[2-(4-methylphenyl)ethyl]indole-4-carboxylic acid
CID 67086782
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]indole-4-carboxylic acid
CID 43316546
1-(1-cyanopropyl)indole-4-carboxylic acid
CID 115003069

Frequently Asked Questions

What is the IUPAC name of 1-aminoindole-4-carboxylic acid?
The IUPAC name of 1-aminoindole-4-carboxylic acid (CID 141215789) is 1-aminoindole-4-carboxylic acid.
What is the SMILES notation for 1-aminoindole-4-carboxylic acid?
The canonical SMILES for 1-aminoindole-4-carboxylic acid is Nn1ccc2c(C(=O)O)cccc21.
What is the InChIKey of 1-aminoindole-4-carboxylic acid?
The InChIKey is BAIVPRKALCFIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-11-5-4-6-7(9(12)13)2-1-3-8(6)11/h1-5H,10H2,(H,12,13).
What are the key properties of 1-aminoindole-4-carboxylic acid?
1-aminoindole-4-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoindole-4-carboxylic acid is sourced from PubChem (CID 141215789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).