2-(3,6-dioxopiperazin-2-yl)acetic acid

C6H8N2O4 — CID 67867045

IUPAC2-(3,6-dioxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1NC(=O)CNC1=O
InChIInChI=1S/C6H8N2O4/c9-4-2-7-6(12)3(8-4)1-5(10)11/h3H,1-2H2,(H,7,12)(H,8,9)(H,10,11)
InChIKeySTTIAONCINEOLF-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.92
Rot. Bonds2

About 2-(3,6-dioxopiperazin-2-yl)acetic acid

2-(3,6-dioxopiperazin-2-yl)acetic acid (PubChem CID 67867045) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(3,6-dioxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6-dioxopiperazin-2-yl)acetic acid
PubChem CID67867045
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(3,6-dioxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1NC(=O)CNC1=O
InChIInChI=1S/C6H8N2O4/c9-4-2-7-6(12)3(8-4)1-5(10)11/h3H,1-2H2,(H,7,12)(H,8,9)(H,10,11)
InChIKeySTTIAONCINEOLF-UHFFFAOYSA-N
XLogP-1.92
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3,6-dioxopiperazin-2-yl)acetic acid (CID 67867045) is 2-(3,6-dioxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3,6-dioxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3,6-dioxopiperazin-2-yl)acetic acid is O=C(O)CC1NC(=O)CNC1=O.
What is the InChIKey of 2-(3,6-dioxopiperazin-2-yl)acetic acid?
The InChIKey is STTIAONCINEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4-2-7-6(12)3(8-4)1-5(10)11/h3H,1-2H2,(H,7,12)(H,8,9)(H,10,11).
What are the key properties of 2-(3,6-dioxopiperazin-2-yl)acetic acid?
2-(3,6-dioxopiperazin-2-yl)acetic acid has a molecular weight of 172.14 g/mol, XLogP of -1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 67867045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).