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

C10H8N2O3 — CID 83814167

IUPAC2-carbamoyl-1H-indole-3-carboxylic acid
SMILESNC(=O)c1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C10H8N2O3/c11-9(13)8-7(10(14)15)5-3-1-2-4-6(5)12-8/h1-4,12H,(H2,11,13)(H,14,15)
InChIKeyOBWUEGVOYMFHAJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.96
Rot. Bonds2

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

2-carbamoyl-1H-indole-3-carboxylic acid (PubChem CID 83814167) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-carbamoyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-1H-indole-3-carboxylic acid
PubChem CID83814167
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-carbamoyl-1H-indole-3-carboxylic acid
SMILESNC(=O)c1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C10H8N2O3/c11-9(13)8-7(10(14)15)5-3-1-2-4-6(5)12-8/h1-4,12H,(H2,11,13)(H,14,15)
InChIKeyOBWUEGVOYMFHAJ-UHFFFAOYSA-N
XLogP0.96
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
3-benzyl-1H-indole-2-carboxamide
CID 70180298
3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
CID 175237247
3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
CID 173085414
2-(2-aminoethyl)-1H-indole-3-carboxylic acid
CID 105456001
3-(1-aminoethyl)-1H-indole-2-carboxamide
CID 163850890
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
2-(sulfanylmethyl)-1H-indole-3-carboxylic acid
CID 158535283
9H-carbazole;carbonic acid
CID 67577328
3-amino-1H-indole-2-carboxylic acid;(Z)-but-2-enedioic acid
CID 69007562
(3-carbamoyl-1H-indol-2-yl)-trimethylazanium
CID 174471865
3-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 11543592

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-1H-indole-3-carboxylic acid?
The IUPAC name of 2-carbamoyl-1H-indole-3-carboxylic acid (CID 83814167) is 2-carbamoyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-carbamoyl-1H-indole-3-carboxylic acid is NC(=O)c1[nH]c2ccccc2c1C(=O)O.
What is the InChIKey of 2-carbamoyl-1H-indole-3-carboxylic acid?
The InChIKey is OBWUEGVOYMFHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-9(13)8-7(10(14)15)5-3-1-2-4-6(5)12-8/h1-4,12H,(H2,11,13)(H,14,15).
What are the key properties of 2-carbamoyl-1H-indole-3-carboxylic acid?
2-carbamoyl-1H-indole-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 83814167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).