3-acetamido-1H-indole-2-carboxylic acid

C11H10N2O3 — CID 644669

IUPAC3-acetamido-1H-indole-2-carboxylic acid
SMILESCC(=O)Nc1c(C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)13-10(9)11(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16)
InChIKeyGWFDHYBEJIZTDA-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.82
Rot. Bonds2

About 3-acetamido-1H-indole-2-carboxylic acid

3-acetamido-1H-indole-2-carboxylic acid (PubChem CID 644669) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-acetamido-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-1H-indole-2-carboxylic acid
PubChem CID644669
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-acetamido-1H-indole-2-carboxylic acid
SMILESCC(=O)Nc1c(C(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)13-10(9)11(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16)
InChIKeyGWFDHYBEJIZTDA-UHFFFAOYSA-N
XLogP1.82
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-methyl-1H-indole-2-carboxylic acid
CID 259188
7-nitro-1H-indole-2-carboxylic acid
CID 81409
Harman-3-Carboxylic Acid
CID 5406157
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
Ethyl indole-2-carboxylate
CID 73125
3-(carboxymethyl)-1H-indole-2-carboxylic acid
CID 672547
3-Methyl-1H-indole-2-carboxylic acid
CID 2752638
6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid
CID 444763
methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate
CID 947964
1-(7-acetamido-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 5743014

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-1H-indole-2-carboxylic acid?
The IUPAC name of 3-acetamido-1H-indole-2-carboxylic acid (CID 644669) is 3-acetamido-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-acetamido-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-acetamido-1H-indole-2-carboxylic acid is CC(=O)Nc1c(C(=O)O)[nH]c2ccccc12.
What is the InChIKey of 3-acetamido-1H-indole-2-carboxylic acid?
The InChIKey is GWFDHYBEJIZTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)13-10(9)11(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-acetamido-1H-indole-2-carboxylic acid?
3-acetamido-1H-indole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-1H-indole-2-carboxylic acid is sourced from PubChem (CID 644669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).