methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate

C10H16N2O4 — CID 66073617

IUPACmethyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H16N2O4/c1-6(8(14)16-4)12-5-7(13)11-9(15)10(12,2)3/h6H,5H2,1-4H3,(H,11,13,15)
InChIKeyOCSAXEHQFYTPGY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.72
Rot. Bonds2

About methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate

methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate (PubChem CID 66073617) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate
PubChem CID66073617
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H16N2O4/c1-6(8(14)16-4)12-5-7(13)11-9(15)10(12,2)3/h6H,5H2,1-4H3,(H,11,13,15)
InChIKeyOCSAXEHQFYTPGY-UHFFFAOYSA-N
XLogP-0.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate (CID 66073617) is methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate is COC(=O)C(C)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate?
The InChIKey is OCSAXEHQFYTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(8(14)16-4)12-5-7(13)11-9(15)10(12,2)3/h6H,5H2,1-4H3,(H,11,13,15).
What are the key properties of methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate?
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate has a molecular weight of 228.25 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)propanoate is sourced from PubChem (CID 66073617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).