2-(2,3-dioxopiperazin-1-yl)acetic acid

C6H8N2O4 — CID 22122176

IUPAC2-(2,3-dioxopiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCNC(=O)C1=O
InChIInChI=1S/C6H8N2O4/c9-4(10)3-8-2-1-7-5(11)6(8)12/h1-3H2,(H,7,11)(H,9,10)
InChIKeyDMJBCKJLLXVOCB-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.97
Rot. Bonds2

About 2-(2,3-dioxopiperazin-1-yl)acetic acid

2-(2,3-dioxopiperazin-1-yl)acetic acid (PubChem CID 22122176) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(2,3-dioxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dioxopiperazin-1-yl)acetic acid
PubChem CID22122176
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(2,3-dioxopiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCNC(=O)C1=O
InChIInChI=1S/C6H8N2O4/c9-4(10)3-8-2-1-7-5(11)6(8)12/h1-3H2,(H,7,11)(H,9,10)
InChIKeyDMJBCKJLLXVOCB-UHFFFAOYSA-N
XLogP-1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dioxopiperazin-1-yl)acetic acid (CID 22122176) is 2-(2,3-dioxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dioxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dioxopiperazin-1-yl)acetic acid is O=C(O)CN1CCNC(=O)C1=O.
What is the InChIKey of 2-(2,3-dioxopiperazin-1-yl)acetic acid?
The InChIKey is DMJBCKJLLXVOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4(10)3-8-2-1-7-5(11)6(8)12/h1-3H2,(H,7,11)(H,9,10).
What are the key properties of 2-(2,3-dioxopiperazin-1-yl)acetic acid?
2-(2,3-dioxopiperazin-1-yl)acetic acid has a molecular weight of 172.14 g/mol, XLogP of -1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxopiperazin-1-yl)acetic acid is sourced from PubChem (CID 22122176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).