[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate

C14H15BrN2O5 — CID 7742980

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H15BrN2O5/c1-9(22-11-4-2-10(15)3-5-11)13(19)21-8-12(18)17-7-6-16-14(17)20/h2-5,9H,6-8H2,1H3,(H,16,20)/t9-/m0/s1
InChIKeyUQNMEXSIOHPCNV-VIFPVBQESA-N
MW371.19 g/mol
LogP1.31
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate (PubChem CID 7742980) has the molecular formula C14H15BrN2O5 and a molecular weight of 371.19 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate
PubChem CID7742980
Molecular FormulaC14H15BrN2O5
Molecular Weight371.19 g/mol
Exact Mass370.02
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H15BrN2O5/c1-9(22-11-4-2-10(15)3-5-11)13(19)21-8-12(18)17-7-6-16-14(17)20/h2-5,9H,6-8H2,1H3,(H,16,20)/t9-/m0/s1
InChIKeyUQNMEXSIOHPCNV-VIFPVBQESA-N
XLogP1.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 30820093
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(4-bromophenoxy)propanoate
CID 55503588
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926353
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8854956
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983707
1-[2-(4-aminophenoxy)acetyl]imidazolidin-2-one
CID 54909200
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7742947
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(4-acetylphenoxy)propanoate
CID 2471598
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-acetylphenoxy)propanoate
CID 4882816
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 46789888
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate
CID 55371486

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate (CID 7742980) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate is C[C@H](Oc1ccc(Br)cc1)C(=O)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate?
The InChIKey is UQNMEXSIOHPCNV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15BrN2O5/c1-9(22-11-4-2-10(15)3-5-11)13(19)21-8-12(18)17-7-6-16-14(17)20/h2-5,9H,6-8H2,1H3,(H,16,20)/t9-/m0/s1.
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate has a molecular weight of 371.19 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate is sourced from PubChem (CID 7742980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).