ethyl 3-(4-oxoimidazolidin-2-yl)propanoate

C8H14N2O3 — CID 66713710

IUPACethyl 3-(4-oxoimidazolidin-2-yl)propanoate
SMILESCCOC(=O)CCC1NCC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)4-3-6-9-5-7(11)10-6/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyGGBQSAFVNVHRDZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.62
Rot. Bonds4

About ethyl 3-(4-oxoimidazolidin-2-yl)propanoate

ethyl 3-(4-oxoimidazolidin-2-yl)propanoate (PubChem CID 66713710) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 3-(4-oxoimidazolidin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-oxoimidazolidin-2-yl)propanoate
PubChem CID66713710
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 3-(4-oxoimidazolidin-2-yl)propanoate
SMILESCCOC(=O)CCC1NCC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)4-3-6-9-5-7(11)10-6/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyGGBQSAFVNVHRDZ-UHFFFAOYSA-N
XLogP-0.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The IUPAC name of ethyl 3-(4-oxoimidazolidin-2-yl)propanoate (CID 66713710) is ethyl 3-(4-oxoimidazolidin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(4-oxoimidazolidin-2-yl)propanoate is CCOC(=O)CCC1NCC(=O)N1.
What is the InChIKey of ethyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The InChIKey is GGBQSAFVNVHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-8(12)4-3-6-9-5-7(11)10-6/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of ethyl 3-(4-oxoimidazolidin-2-yl)propanoate?
ethyl 3-(4-oxoimidazolidin-2-yl)propanoate has a molecular weight of 186.21 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxoimidazolidin-2-yl)propanoate is sourced from PubChem (CID 66713710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).