ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate

C10H16N2O5 — CID 119053586

IUPACethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(CCOC)C(=O)C(=O)N1
InChIInChI=1S/C10H16N2O5/c1-3-17-10(15)7-6-12(4-5-16-2)9(14)8(13)11-7/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyMOMFCANZTRMJOV-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.48
Rot. Bonds5

About ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate

ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate (PubChem CID 119053586) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate
PubChem CID119053586
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Nameethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate
SMILESCCOC(=O)C1CN(CCOC)C(=O)C(=O)N1
InChIInChI=1S/C10H16N2O5/c1-3-17-10(15)7-6-12(4-5-16-2)9(14)8(13)11-7/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyMOMFCANZTRMJOV-UHFFFAOYSA-N
XLogP-1.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-5,6-dioxopiperazine-2-carboxylate
CID 119053580
ethyl (2R)-4-(2-fluorophenyl)-5,6-dioxopiperazine-2-carboxylate
CID 124676690
ethyl (2S)-4-(2-chlorophenyl)-5,6-dioxopiperazine-2-carboxylate
CID 124676693
2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate
CID 175102268
ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
CID 102511677
ethyl (2R)-4-(3-chlorophenyl)-5,6-dioxopiperazine-2-carboxylate
CID 124676696
ethyl (3S)-1-[6-[(4R)-4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl]hexyl]-4,5-dioxopyrrolidine-3-carboxylate
CID 92529908
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 156790382
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
ethyl 4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110290231

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate (CID 119053586) is ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate is CCOC(=O)C1CN(CCOC)C(=O)C(=O)N1.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate?
The InChIKey is MOMFCANZTRMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-3-17-10(15)7-6-12(4-5-16-2)9(14)8(13)11-7/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate?
ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of -1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate is sourced from PubChem (CID 119053586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).