ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate

C13H22N2O7 — CID 21219849

IUPACethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)N(CCC(=O)OCC)C(O)C1O
InChIInChI=1S/C13H22N2O7/c1-3-21-9(16)5-7-14-11(18)12(19)15(13(14)20)8-6-10(17)22-4-2/h11-12,18-19H,3-8H2,1-2H3
InChIKeyRQHSXUNWWUGORD-UHFFFAOYSA-N
MW318.33 g/mol
LogP-0.73
Rot. Bonds8

About ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate

ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate (PubChem CID 21219849) has the molecular formula C13H22N2O7 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate
PubChem CID21219849
Molecular FormulaC13H22N2O7
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)N(CCC(=O)OCC)C(O)C1O
InChIInChI=1S/C13H22N2O7/c1-3-21-9(16)5-7-14-11(18)12(19)15(13(14)20)8-6-10(17)22-4-2/h11-12,18-19H,3-8H2,1-2H3
InChIKeyRQHSXUNWWUGORD-UHFFFAOYSA-N
XLogP-0.73
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate (CID 21219849) is ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate is CCOC(=O)CCN1C(=O)N(CCC(=O)OCC)C(O)C1O.
What is the InChIKey of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate?
The InChIKey is RQHSXUNWWUGORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O7/c1-3-21-9(16)5-7-14-11(18)12(19)15(13(14)20)8-6-10(17)22-4-2/h11-12,18-19H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate?
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate has a molecular weight of 318.33 g/mol, XLogP of -0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 21219849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).