3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid

C12H20N2O4 — CID 70615236

IUPAC3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1C(C)(C)C(=O)NC(=O)C1(C)C
InChIInChI=1S/C12H20N2O4/c1-7(6-8(15)16)14-11(2,3)9(17)13-10(18)12(14,4)5/h7H,6H2,1-5H3,(H,15,16)(H,13,17,18)
InChIKeyLZCCFAVWZVJOIT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.37
Rot. Bonds3

About 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid

3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid (PubChem CID 70615236) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid
PubChem CID70615236
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1C(C)(C)C(=O)NC(=O)C1(C)C
InChIInChI=1S/C12H20N2O4/c1-7(6-8(15)16)14-11(2,3)9(17)13-10(18)12(14,4)5/h7H,6H2,1-5H3,(H,15,16)(H,13,17,18)
InChIKeyLZCCFAVWZVJOIT-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid?
The IUPAC name of 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid (CID 70615236) is 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid is CC(CC(=O)O)N1C(C)(C)C(=O)NC(=O)C1(C)C.
What is the InChIKey of 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid?
The InChIKey is LZCCFAVWZVJOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(6-8(15)16)14-11(2,3)9(17)13-10(18)12(14,4)5/h7H,6H2,1-5H3,(H,15,16)(H,13,17,18).
What are the key properties of 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid?
3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 70615236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).