ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate

C11H19NO5 — CID 55008526

IUPACethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C11H19NO5/c1-4-16-10(14)7-6-9(13)12(3)8-11(15)17-5-2/h4-8H2,1-3H3
InChIKeyVMNLUOGHVRZGGK-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.35
Rot. Bonds7

About ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate

ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate (PubChem CID 55008526) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
PubChem CID55008526
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nameethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C11H19NO5/c1-4-16-10(14)7-6-9(13)12(3)8-11(15)17-5-2/h4-8H2,1-3H3
InChIKeyVMNLUOGHVRZGGK-UHFFFAOYSA-N
XLogP0.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate (CID 55008526) is ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
The InChIKey is VMNLUOGHVRZGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-4-16-10(14)7-6-9(13)12(3)8-11(15)17-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate?
ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate has a molecular weight of 245.27 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethoxy-2-oxoethyl)-methylamino]-4-oxobutanoate is sourced from PubChem (CID 55008526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).