[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate

C16H19ClN2O5 — CID 30500787

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C16H19ClN2O5/c1-9-8-12(17)4-5-13(9)23-11(3)15(21)24-10(2)14(20)19-7-6-18-16(19)22/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,22)/t10-,11-/m0/s1
InChIKeyTZUGRVUPCIBQEM-QWRGUYRKSA-N
MW354.79 g/mol
LogP1.90
Rot. Bonds5

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 30500787) has the molecular formula C16H19ClN2O5 and a molecular weight of 354.79 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID30500787
Molecular FormulaC16H19ClN2O5
Molecular Weight354.79 g/mol
Exact Mass354.10
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C16H19ClN2O5/c1-9-8-12(17)4-5-13(9)23-11(3)15(21)24-10(2)14(20)19-7-6-18-16(19)22/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,22)/t10-,11-/m0/s1
InChIKeyTZUGRVUPCIBQEM-QWRGUYRKSA-N
XLogP1.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 55417535
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616826
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8854956
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 55340400
1-[(2S)-2-(4-methyl-2-nitrophenoxy)propanoyl]imidazolidin-2-one
CID 8941013
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate
CID 8995094
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
2-(4-chloro-2-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391831
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 18091727

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate (CID 30500787) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is TZUGRVUPCIBQEM-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H19ClN2O5/c1-9-8-12(17)4-5-13(9)23-11(3)15(21)24-10(2)14(20)19-7-6-18-16(19)22/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,22)/t10-,11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 354.79 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 30500787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).