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

C10H16N2O4 — CID 11160520

IUPAC2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid
SMILESCCCCN1CCN(CC(=O)O)C(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-4-11-5-6-12(7-8(13)14)10(16)9(11)15/h2-7H2,1H3,(H,13,14)
InChIKeyCXZMQLQAMRIYJE-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.46
Rot. Bonds5

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

2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid (PubChem CID 11160520) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid
PubChem CID11160520
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid
SMILESCCCCN1CCN(CC(=O)O)C(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-2-3-4-11-5-6-12(7-8(13)14)10(16)9(11)15/h2-7H2,1H3,(H,13,14)
InChIKeyCXZMQLQAMRIYJE-UHFFFAOYSA-N
XLogP-0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid (CID 11160520) is 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid is CCCCN1CCN(CC(=O)O)C(=O)C1=O.
What is the InChIKey of 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid?
The InChIKey is CXZMQLQAMRIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-3-4-11-5-6-12(7-8(13)14)10(16)9(11)15/h2-7H2,1H3,(H,13,14).
What are the key properties of 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid?
2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,3-dioxopiperazin-1-yl)acetic acid is sourced from PubChem (CID 11160520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).