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

C11H18N2O4 — CID 70615343

IUPAC2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(C)(C)C(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H18N2O4/c1-6(7(14)15)13-10(2,3)8(16)12-9(17)11(13,4)5/h6H,1-5H3,(H,14,15)(H,12,16,17)
InChIKeyVYBNHSYPVVMAQC-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds2

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

2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid (PubChem CID 70615343) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid
PubChem CID70615343
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(C)(C)C(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H18N2O4/c1-6(7(14)15)13-10(2,3)8(16)12-9(17)11(13,4)5/h6H,1-5H3,(H,14,15)(H,12,16,17)
InChIKeyVYBNHSYPVVMAQC-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
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 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid (CID 70615343) is 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid is CC(C(=O)O)N1C(C)(C)C(=O)NC(=O)C1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid?
The InChIKey is VYBNHSYPVVMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(7(14)15)13-10(2,3)8(16)12-9(17)11(13,4)5/h6H,1-5H3,(H,14,15)(H,12,16,17).
What are the key properties of 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid?
2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-3,5-dioxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 70615343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).