[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C15H17N3O6 — CID 7553820

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C15H17N3O6/c19-12-6-10(7-17(12)8-11-2-1-5-23-11)14(21)24-9-13(20)18-4-3-16-15(18)22/h1-2,5,10H,3-4,6-9H2,(H,16,22)/t10-/m1/s1
InChIKeyPCKLSCRLDODNJX-SNVBAGLBSA-N
MW335.32 g/mol
LogP-0.28
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7553820) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7553820
Molecular FormulaC15H17N3O6
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C15H17N3O6/c19-12-6-10(7-17(12)8-11-2-1-5-23-11)14(21)24-9-13(20)18-4-3-16-15(18)22/h1-2,5,10H,3-4,6-9H2,(H,16,22)/t10-/m1/s1
InChIKeyPCKLSCRLDODNJX-SNVBAGLBSA-N
XLogP-0.28
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8955350
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 3252266
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 47004312
[2-(benzylamino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578938
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578418
[2-(2,6-diethylanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578870
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579265
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579798
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577913
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 7553820) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is O=C(OCC(=O)N1CCNC1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is PCKLSCRLDODNJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O6/c19-12-6-10(7-17(12)8-11-2-1-5-23-11)14(21)24-9-13(20)18-4-3-16-15(18)22/h1-2,5,10H,3-4,6-9H2,(H,16,22)/t10-/m1/s1.
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 335.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7553820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).