3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid

C7H10N2O5 — CID 130593704

IUPAC3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid
SMILESO=C1CN(CC(O)C(=O)O)CC(=O)N1
InChIInChI=1S/C7H10N2O5/c10-4(7(13)14)1-9-2-5(11)8-6(12)3-9/h4,10H,1-3H2,(H,13,14)(H,8,11,12)
InChIKeyKWHJDTOXLYVVBK-UHFFFAOYSA-N
MW202.17 g/mol
LogP-2.61
Rot. Bonds3

About 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid

3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid (PubChem CID 130593704) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid
PubChem CID130593704
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid
SMILESO=C1CN(CC(O)C(=O)O)CC(=O)N1
InChIInChI=1S/C7H10N2O5/c10-4(7(13)14)1-9-2-5(11)8-6(12)3-9/h4,10H,1-3H2,(H,13,14)(H,8,11,12)
InChIKeyKWHJDTOXLYVVBK-UHFFFAOYSA-N
XLogP-2.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-2.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic 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 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid (CID 130593704) is 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid is O=C1CN(CC(O)C(=O)O)CC(=O)N1.
What is the InChIKey of 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid?
The InChIKey is KWHJDTOXLYVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c10-4(7(13)14)1-9-2-5(11)8-6(12)3-9/h4,10H,1-3H2,(H,13,14)(H,8,11,12).
What are the key properties of 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid?
3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid has a molecular weight of 202.17 g/mol, XLogP of -2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxopiperazin-1-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 130593704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).