2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid

C8H12N2O4 — CID 20747005

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid
SMILESCCN1CCN(CC(=O)O)C(=O)C1=O
InChIInChI=1S/C8H12N2O4/c1-2-9-3-4-10(5-6(11)12)8(14)7(9)13/h2-5H2,1H3,(H,11,12)
InChIKeyCWMVFOSETYRVLU-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.24
Rot. Bonds3

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid

2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid (PubChem CID 20747005) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid
PubChem CID20747005
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid
SMILESCCN1CCN(CC(=O)O)C(=O)C1=O
InChIInChI=1S/C8H12N2O4/c1-2-9-3-4-10(5-6(11)12)8(14)7(9)13/h2-5H2,1H3,(H,11,12)
InChIKeyCWMVFOSETYRVLU-UHFFFAOYSA-N
XLogP-1.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Methylpiperazin-1-yl)acetic acid
CID 2762732
2-(4-acetylpiperazin-1-yl)acetic Acid
CID 2050656
1,4-Piperazinediacetic acid
CID 72640
2-(4-(Tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid
CID 17040175
2-(2,3-Dioxopiperazin-1-yl)acetic acid
CID 22122176
(4-Methylpiperazin-1-yl)(oxo)acetic acid
CID 2051411
1,4-Piperazinediacetic acid, 2-oxo-
CID 11106762
(4-Butanoylpiperazin-1-YL)acetic acid
CID 28705027
2-(4-Ethylpiperazin-1-yl)acetic acid
CID 3163246
1,4-Bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
[4-(2-Hydroxyethyl)piperazin-1-yl](oxo)acetic acid
CID 2051421
(4-Methyl-3,5-dioxopiperazin-1-YL)acetic acid
CID 10679103

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid (CID 20747005) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid is CCN1CCN(CC(=O)O)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid?
The InChIKey is CWMVFOSETYRVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-9-3-4-10(5-6(11)12)8(14)7(9)13/h2-5H2,1H3,(H,11,12).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid has a molecular weight of 200.19 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetic acid is sourced from PubChem (CID 20747005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).