ethyl 3-(2-oxoimidazolidin-1-yl)propanoate

C8H14N2O3 — CID 14678114

IUPACethyl 3-(2-oxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCNC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-7(11)3-5-10-6-4-9-8(10)12/h2-6H2,1H3,(H,9,12)
InChIKeyRONKUIMWODVBAB-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.04
Rot. Bonds4

About ethyl 3-(2-oxoimidazolidin-1-yl)propanoate

ethyl 3-(2-oxoimidazolidin-1-yl)propanoate (PubChem CID 14678114) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 3-(2-oxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-oxoimidazolidin-1-yl)propanoate
PubChem CID14678114
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 3-(2-oxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCNC1=O
InChIInChI=1S/C8H14N2O3/c1-2-13-7(11)3-5-10-6-4-9-8(10)12/h2-6H2,1H3,(H,9,12)
InChIKeyRONKUIMWODVBAB-UHFFFAOYSA-N
XLogP-0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-oxoimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-oxoimidazolidin-1-yl)propanoate (CID 14678114) is ethyl 3-(2-oxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-oxoimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-oxoimidazolidin-1-yl)propanoate is CCOC(=O)CCN1CCNC1=O.
What is the InChIKey of ethyl 3-(2-oxoimidazolidin-1-yl)propanoate?
The InChIKey is RONKUIMWODVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-7(11)3-5-10-6-4-9-8(10)12/h2-6H2,1H3,(H,9,12).
What are the key properties of ethyl 3-(2-oxoimidazolidin-1-yl)propanoate?
ethyl 3-(2-oxoimidazolidin-1-yl)propanoate has a molecular weight of 186.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-oxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 14678114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).