diethyl 2-acetylaziridine-1,2-dicarboxylate

C10H15NO5 — CID 15506302

IUPACdiethyl 2-acetylaziridine-1,2-dicarboxylate
SMILESCCOC(=O)N1CC1(C(C)=O)C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-15-8(13)10(7(3)12)6-11(10)9(14)16-5-2/h4-6H2,1-3H3
InChIKeySGSFDIHXXPIJQM-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.35
Rot. Bonds4

About diethyl 2-acetylaziridine-1,2-dicarboxylate

diethyl 2-acetylaziridine-1,2-dicarboxylate (PubChem CID 15506302) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is diethyl 2-acetylaziridine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-acetylaziridine-1,2-dicarboxylate
PubChem CID15506302
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namediethyl 2-acetylaziridine-1,2-dicarboxylate
SMILESCCOC(=O)N1CC1(C(C)=O)C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-4-15-8(13)10(7(3)12)6-11(10)9(14)16-5-2/h4-6H2,1-3H3
InChIKeySGSFDIHXXPIJQM-UHFFFAOYSA-N
XLogP0.35
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 2-O-ethyl 2-acetylaziridine-1,2-dicarboxylate
CID 15506301
2-O'-ethyl 2-O-methyl 1-methoxyaziridine-2,2-dicarboxylate
CID 593823
ethyl 5-acetyl-2,5-dihydroxy-1,4-dithiane-2-carboxylate
CID 71142412
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate
CID 10902282
ethyl (17R)-17-acetyl-5,13-dimethyl-1,9-diazatetracyclo[7.7.2.02,7.010,15]octadeca-2(7),3,5,10(15),11,13-hexaene-17-carboxylate
CID 56954746
1-O-[(1R,2S,3R,4S)-3-[N-(benzenesulfonyl)-3,5-dimethylanilino]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-O-ethyl 2-acetylaziridine-1,2-dicarboxylate
CID 11284820
3-O-tert-butyl 1-O-ethyl (1S,5S)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
CID 95757536
ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
CID 10631903
ethyl 3-chloro-1-(2-methylbutan-2-yl)azetidine-3-carboxylate
CID 102583645
diethyl 1-acetyl-4-oxo-3H-pyridine-2,2-dicarboxylate
CID 14983443
1-(2-bromoacetyl)-2-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70314994

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetylaziridine-1,2-dicarboxylate?
The IUPAC name of diethyl 2-acetylaziridine-1,2-dicarboxylate (CID 15506302) is diethyl 2-acetylaziridine-1,2-dicarboxylate.
What is the SMILES notation for diethyl 2-acetylaziridine-1,2-dicarboxylate?
The canonical SMILES for diethyl 2-acetylaziridine-1,2-dicarboxylate is CCOC(=O)N1CC1(C(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetylaziridine-1,2-dicarboxylate?
The InChIKey is SGSFDIHXXPIJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-4-15-8(13)10(7(3)12)6-11(10)9(14)16-5-2/h4-6H2,1-3H3.
What are the key properties of diethyl 2-acetylaziridine-1,2-dicarboxylate?
diethyl 2-acetylaziridine-1,2-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetylaziridine-1,2-dicarboxylate is sourced from PubChem (CID 15506302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).