2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

C17H23N3O6 — CID 41013005

IUPAC2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C17H23N3O6/c1-8(2)25-15(22)12-9(3)13(19-10(12)4)16(23)26-11(5)14(21)20-7-6-18-17(20)24/h8,11,19H,6-7H2,1-5H3,(H,18,24)/t11-/m1/s1
InChIKeyUGQMEILJEHKCOW-LLVKDONJSA-N
MW365.39 g/mol
LogP1.29
Rot. Bonds5

About 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (PubChem CID 41013005) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
PubChem CID41013005
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C17H23N3O6/c1-8(2)25-15(22)12-9(3)13(19-10(12)4)16(23)26-11(5)14(21)20-7-6-18-17(20)24/h8,11,19H,6-7H2,1-5H3,(H,18,24)/t11-/m1/s1
InChIKeyUGQMEILJEHKCOW-LLVKDONJSA-N
XLogP1.29
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate with MolForge

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
2-O-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8508704
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 18091731
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 18092066
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46574508
2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7198456
4-O-methyl 2-O-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 41037060
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18090871
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41099390

Frequently Asked Questions

What is the IUPAC name of 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CID 41013005) is 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is Cc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCNC2=O)c(C)c1C(=O)OC(C)C.
What is the InChIKey of 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is UGQMEILJEHKCOW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-8(2)25-15(22)12-9(3)13(19-10(12)4)16(23)26-11(5)14(21)20-7-6-18-17(20)24/h8,11,19H,6-7H2,1-5H3,(H,18,24)/t11-/m1/s1.
What are the key properties of 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 365.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 41013005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).