ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate

C13H24N2O4 — CID 139659008

IUPACethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(CCC(=O)OCC)C1
InChIInChI=1S/C13H24N2O4/c1-3-18-12(16)5-7-14-9-10-15(11-14)8-6-13(17)19-4-2/h3-11H2,1-2H3
InChIKeyVRYZPAKENLLDLZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.47
Rot. Bonds8

About ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate

ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate (PubChem CID 139659008) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
PubChem CID139659008
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(CCC(=O)OCC)C1
InChIInChI=1S/C13H24N2O4/c1-3-18-12(16)5-7-14-9-10-15(11-14)8-6-13(17)19-4-2/h3-11H2,1-2H3
InChIKeyVRYZPAKENLLDLZ-UHFFFAOYSA-N
XLogP0.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]propanoate
CID 21219829
Propyl 3-[3-(3-oxo-3-propoxypropyl)imidazolidin-1-yl]propanoate
CID 23596961
Propyl 3-[(3-oxo-3-propoxypropyl)-(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 58040561
Methyl 3-(3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 62491138
Methyl 2-(1,3,4-trimethylimidazolidin-2-yl)acetate
CID 67176475
Methyl 2-(1-ethyl-3-methylimidazolidin-2-yl)acetate
CID 67180034
Ethyl 3-(3-ethoxy-3-oxopropyl)-1-ethyl-2-oxoimidazolidin-1-ium-1-carboxylate
CID 70557648
Ethyl 3-imidazolidin-1-yl-2-methylpropanoate
CID 117719113
Ethyl 3-imidazolidin-1-ylpropanoate
CID 117719122
Butyl 3-[3-(3-butoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659009
Methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659011
Propan-2-yl 3-[3-(3-oxo-3-propan-2-yloxypropyl)imidazolidin-1-yl]propanoate
CID 139659012

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate (CID 139659008) is ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate is CCOC(=O)CCN1CCN(CCC(=O)OCC)C1.
What is the InChIKey of ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
The InChIKey is VRYZPAKENLLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-18-12(16)5-7-14-9-10-15(11-14)8-6-13(17)19-4-2/h3-11H2,1-2H3.
What are the key properties of ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate has a molecular weight of 272.34 g/mol, XLogP of 0.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate is sourced from PubChem (CID 139659008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).