[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate

C16H17N3O5 — CID 8854956

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C16H17N3O5/c1-10(14(20)19-8-7-18-16(19)22)24-15(21)11(2)23-13-5-3-12(9-17)4-6-13/h3-6,10-11H,7-8H2,1-2H3,(H,18,22)/t10-,11-/m1/s1
InChIKeyDKCRSXYCJHCAFH-GHMZBOCLSA-N
MW331.33 g/mol
LogP0.81
Rot. Bonds5

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 8854956) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID8854956
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C16H17N3O5/c1-10(14(20)19-8-7-18-16(19)22)24-15(21)11(2)23-13-5-3-12(9-17)4-6-13/h3-6,10-11H,7-8H2,1-2H3,(H,18,22)/t10-,11-/m1/s1
InChIKeyDKCRSXYCJHCAFH-GHMZBOCLSA-N
XLogP0.81
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate
CID 30500787
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8857080
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855456
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7742980
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983707
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate (CID 8854956) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate is C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is DKCRSXYCJHCAFH-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10(14(20)19-8-7-18-16(19)22)24-15(21)11(2)23-13-5-3-12(9-17)4-6-13/h3-6,10-11H,7-8H2,1-2H3,(H,18,22)/t10-,11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 331.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 8854956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).