ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate

C13H24N2O5 — CID 56979321

IUPACethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CCC(C)OCCO)C1=O
InChIInChI=1S/C13H24N2O5/c1-3-19-12(17)10-15-7-6-14(13(15)18)5-4-11(2)20-9-8-16/h11,16H,3-10H2,1-2H3
InChIKeyAXFUPIFIBHLHIQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.07
Rot. Bonds9

About ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate

ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 56979321) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID56979321
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CCC(C)OCCO)C1=O
InChIInChI=1S/C13H24N2O5/c1-3-19-12(17)10-15-7-6-14(13(15)18)5-4-11(2)20-9-8-16/h11,16H,3-10H2,1-2H3
InChIKeyAXFUPIFIBHLHIQ-UHFFFAOYSA-N
XLogP0.07
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-Dimethoxypyrrolidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 103536364
Ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4,5-dihydroxy-2-oxoimidazolidin-1-yl]propanoate
CID 21219849
Ethyl 2-[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxoimidazolidin-1-yl]acetate
CID 145778049
tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate
CID 167414757
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 54993780
2-[Ethyl-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetic acid
CID 54998594
2-[[(2-Hydroxy-3-methoxypropyl)-methylcarbamoyl]-propylamino]acetic acid
CID 61584098
2-[[(2-Hydroxy-3-methoxypropyl)-methylcarbamoyl]-methylamino]acetic acid
CID 61584262
2-[4-[(2-Hydroxy-3-methoxypropyl)-methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61584318
2-[4-[(2-Hydroxy-3-methoxypropyl)-methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62824683
Ethyl 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]acetate
CID 62942881
2-[Ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid
CID 62944011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate (CID 56979321) is ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate is CCOC(=O)CN1CCN(CCC(C)OCCO)C1=O.
What is the InChIKey of ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is AXFUPIFIBHLHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-3-19-12(17)10-15-7-6-14(13(15)18)5-4-11(2)20-9-8-16/h11,16H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate?
ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 288.34 g/mol, XLogP of 0.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-(2-hydroxyethoxy)butyl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 56979321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).