3-(3,5-dioxopiperazin-1-yl)propanoic acid

C7H10N2O4 — CID 66085521

IUPAC3-(3,5-dioxopiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H10N2O4/c10-5-3-9(2-1-7(12)13)4-6(11)8-5/h1-4H2,(H,12,13)(H,8,10,11)
InChIKeyZOSZPLIAMWNZPW-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.58
Rot. Bonds3

About 3-(3,5-dioxopiperazin-1-yl)propanoic acid

3-(3,5-dioxopiperazin-1-yl)propanoic acid (PubChem CID 66085521) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(3,5-dioxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dioxopiperazin-1-yl)propanoic acid
PubChem CID66085521
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name3-(3,5-dioxopiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H10N2O4/c10-5-3-9(2-1-7(12)13)4-6(11)8-5/h1-4H2,(H,12,13)(H,8,10,11)
InChIKeyZOSZPLIAMWNZPW-UHFFFAOYSA-N
XLogP-1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxopiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(3,5-dioxopiperazin-1-yl)propanoic acid (CID 66085521) is 3-(3,5-dioxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-dioxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(3,5-dioxopiperazin-1-yl)propanoic acid is O=C(O)CCN1CC(=O)NC(=O)C1.
What is the InChIKey of 3-(3,5-dioxopiperazin-1-yl)propanoic acid?
The InChIKey is ZOSZPLIAMWNZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-5-3-9(2-1-7(12)13)4-6(11)8-5/h1-4H2,(H,12,13)(H,8,10,11).
What are the key properties of 3-(3,5-dioxopiperazin-1-yl)propanoic acid?
3-(3,5-dioxopiperazin-1-yl)propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 66085521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).