5-carbamoyl-1-hydroxyindole-2-carboxylic acid

C10H8N2O4 — CID 66578959

IUPAC5-carbamoyl-1-hydroxyindole-2-carboxylic acid
SMILESNC(=O)c1ccc2c(c1)cc(C(=O)O)n2O
InChIInChI=1S/C10H8N2O4/c11-9(13)5-1-2-7-6(3-5)4-8(10(14)15)12(7)16/h1-4,16H,(H2,11,13)(H,14,15)
InChIKeyNJGIKYNRIBSDEJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.68
Rot. Bonds2

About 5-carbamoyl-1-hydroxyindole-2-carboxylic acid

5-carbamoyl-1-hydroxyindole-2-carboxylic acid (PubChem CID 66578959) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-carbamoyl-1-hydroxyindole-2-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-1-hydroxyindole-2-carboxylic acid
PubChem CID66578959
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name5-carbamoyl-1-hydroxyindole-2-carboxylic acid
SMILESNC(=O)c1ccc2c(c1)cc(C(=O)O)n2O
InChIInChI=1S/C10H8N2O4/c11-9(13)5-1-2-7-6(3-5)4-8(10(14)15)12(7)16/h1-4,16H,(H2,11,13)(H,14,15)
InChIKeyNJGIKYNRIBSDEJ-UHFFFAOYSA-N
XLogP0.68
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-1-hydroxyindole-2-carboxylic acid?
The IUPAC name of 5-carbamoyl-1-hydroxyindole-2-carboxylic acid (CID 66578959) is 5-carbamoyl-1-hydroxyindole-2-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-1-hydroxyindole-2-carboxylic acid?
The canonical SMILES for 5-carbamoyl-1-hydroxyindole-2-carboxylic acid is NC(=O)c1ccc2c(c1)cc(C(=O)O)n2O.
What is the InChIKey of 5-carbamoyl-1-hydroxyindole-2-carboxylic acid?
The InChIKey is NJGIKYNRIBSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-9(13)5-1-2-7-6(3-5)4-8(10(14)15)12(7)16/h1-4,16H,(H2,11,13)(H,14,15).
What are the key properties of 5-carbamoyl-1-hydroxyindole-2-carboxylic acid?
5-carbamoyl-1-hydroxyindole-2-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1-hydroxyindole-2-carboxylic acid is sourced from PubChem (CID 66578959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).