[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate

C16H20N2O5 — CID 8955988

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C16H20N2O5/c1-11(15(20)18-10-9-17-16(18)21)23-14(19)8-7-12-5-3-4-6-13(12)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyHIOKFWCIFCGRNZ-LLVKDONJSA-N
MW320.34 g/mol
LogP1.11
Rot. Bonds6

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate (PubChem CID 8955988) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
PubChem CID8955988
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C16H20N2O5/c1-11(15(20)18-10-9-17-16(18)21)23-14(19)8-7-12-5-3-4-6-13(12)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyHIOKFWCIFCGRNZ-LLVKDONJSA-N
XLogP1.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616826
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55423169
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 47018319
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 8879248
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8885998
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956013
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 42971001
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 7871072
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
CID 18091914
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 46622135
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8986880
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8959192

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate (CID 8955988) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=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] 3-(2-methoxyphenyl)propanoate?
The InChIKey is HIOKFWCIFCGRNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-11(15(20)18-10-9-17-16(18)21)23-14(19)8-7-12-5-3-4-6-13(12)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 320.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 8955988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).