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

C10H16N2O4 — CID 43536406

IUPAC3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid
SMILESCCN1CCN(C(C)CC(=O)O)C(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-3-11-4-5-12(10(16)9(11)15)7(2)6-8(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDGDOUQDNXGNWRM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.46
Rot. Bonds4

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

3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid (PubChem CID 43536406) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid
PubChem CID43536406
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid
SMILESCCN1CCN(C(C)CC(=O)O)C(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-3-11-4-5-12(10(16)9(11)15)7(2)6-8(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDGDOUQDNXGNWRM-UHFFFAOYSA-N
XLogP-0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
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 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid?
The IUPAC name of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid (CID 43536406) is 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid is CCN1CCN(C(C)CC(=O)O)C(=O)C1=O.
What is the InChIKey of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid?
The InChIKey is DGDOUQDNXGNWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-11-4-5-12(10(16)9(11)15)7(2)6-8(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid?
3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2,3-dioxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 43536406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).