1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid

C12H11IN2O5 — CID 107731478

IUPAC1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(I)ccc2O)C(C(=O)O)CN1
InChIInChI=1S/C12H11IN2O5/c13-6-1-2-9(16)7(3-6)11(18)15-5-10(17)14-4-8(15)12(19)20/h1-3,8,16H,4-5H2,(H,14,17)(H,19,20)
InChIKeyCRXZCQVSIQIXDC-UHFFFAOYSA-N
MW390.13 g/mol
LogP0.02
Rot. Bonds2

About 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid

1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107731478) has the molecular formula C12H11IN2O5 and a molecular weight of 390.13 g/mol. Its IUPAC name is 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107731478
Molecular FormulaC12H11IN2O5
Molecular Weight390.13 g/mol
Exact Mass389.97
IUPAC Name1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(I)ccc2O)C(C(=O)O)CN1
InChIInChI=1S/C12H11IN2O5/c13-6-1-2-9(16)7(3-6)11(18)15-5-10(17)14-4-8(15)12(19)20/h1-3,8,16H,4-5H2,(H,14,17)(H,19,20)
InChIKeyCRXZCQVSIQIXDC-UHFFFAOYSA-N
XLogP0.02
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic 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 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid (CID 107731478) is 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2cc(I)ccc2O)C(C(=O)O)CN1.
What is the InChIKey of 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is CRXZCQVSIQIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O5/c13-6-1-2-9(16)7(3-6)11(18)15-5-10(17)14-4-8(15)12(19)20/h1-3,8,16H,4-5H2,(H,14,17)(H,19,20).
What are the key properties of 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid?
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 390.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107731478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).