ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate

C11H18N2O6 — CID 10754772

IUPACethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(CC)NC(=O)C(=O)OCC
InChIInChI=1S/C11H18N2O6/c1-4-7(12-8(14)10(16)18-5-2)13-9(15)11(17)19-6-3/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyXQAZRUHPYMIZDO-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.92
Rot. Bonds5

About ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate

ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate (PubChem CID 10754772) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate
PubChem CID10754772
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Nameethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(CC)NC(=O)C(=O)OCC
InChIInChI=1S/C11H18N2O6/c1-4-7(12-8(14)10(16)18-5-2)13-9(15)11(17)19-6-3/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyXQAZRUHPYMIZDO-UHFFFAOYSA-N
XLogP-0.92
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate (CID 10754772) is ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate is CCOC(=O)C(=O)NC(CC)NC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate?
The InChIKey is XQAZRUHPYMIZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-4-7(12-8(14)10(16)18-5-2)13-9(15)11(17)19-6-3/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate?
ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate has a molecular weight of 274.27 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(2-ethoxy-2-oxoacetyl)amino]propylamino]-2-oxoacetate is sourced from PubChem (CID 10754772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).