2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid

C10H8N2O4 — CID 91266150

IUPAC2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nn1c(O)cc2ccccc21
InChIInChI=1S/C10H8N2O4/c13-8-5-6-3-1-2-4-7(6)12(8)11-9(14)10(15)16/h1-5,13H,(H,11,14)(H,15,16)
InChIKeyLDKJKWDMDRTXKC-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.50
Rot. Bonds1

About 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid

2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid (PubChem CID 91266150) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid
PubChem CID91266150
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nn1c(O)cc2ccccc21
InChIInChI=1S/C10H8N2O4/c13-8-5-6-3-1-2-4-7(6)12(8)11-9(14)10(15)16/h1-5,13H,(H,11,14)(H,15,16)
InChIKeyLDKJKWDMDRTXKC-UHFFFAOYSA-N
XLogP0.50
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid (CID 91266150) is 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid is O=C(O)C(=O)Nn1c(O)cc2ccccc21.
What is the InChIKey of 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid?
The InChIKey is LDKJKWDMDRTXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-8-5-6-3-1-2-4-7(6)12(8)11-9(14)10(15)16/h1-5,13H,(H,11,14)(H,15,16).
What are the key properties of 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid?
2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid has a molecular weight of 220.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyindol-1-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 91266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).