2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate

C11H20N2O4 — CID 123807514

IUPAC2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate
SMILESCCNC(=O)OCCOC(=O)CCN1CC1C
InChIInChI=1S/C11H20N2O4/c1-3-12-11(15)17-7-6-16-10(14)4-5-13-8-9(13)2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyJASOEFKYLRVBDK-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.37
Rot. Bonds7

About 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate

2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate (PubChem CID 123807514) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate.

Molecular Properties

Compound Name2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate
PubChem CID123807514
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate
SMILESCCNC(=O)OCCOC(=O)CCN1CC1C
InChIInChI=1S/C11H20N2O4/c1-3-12-11(15)17-7-6-16-10(14)4-5-13-8-9(13)2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyJASOEFKYLRVBDK-UHFFFAOYSA-N
XLogP0.37
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate?
The IUPAC name of 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate (CID 123807514) is 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate.
What is the SMILES notation for 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate?
The canonical SMILES for 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate is CCNC(=O)OCCOC(=O)CCN1CC1C.
What is the InChIKey of 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate?
The InChIKey is JASOEFKYLRVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-12-11(15)17-7-6-16-10(14)4-5-13-8-9(13)2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate?
2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate has a molecular weight of 244.29 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate is sourced from PubChem (CID 123807514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).