[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate

C17H26N2O6 — CID 69049862

IUPAC[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)CC(OC(=O)N1CCOCC1)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C17H26N2O6/c1-11(2)9-14(25-17(22)18-5-7-23-8-6-18)16(21)19-4-3-13-15(19)12(20)10-24-13/h11,13-15H,3-10H2,1-2H3
InChIKeyBGEIPGZCCOCFLN-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.44
Rot. Bonds4

About [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate

[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate (PubChem CID 69049862) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate
PubChem CID69049862
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate
SMILESCC(C)CC(OC(=O)N1CCOCC1)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C17H26N2O6/c1-11(2)9-14(25-17(22)18-5-7-23-8-6-18)16(21)19-4-3-13-15(19)12(20)10-24-13/h11,13-15H,3-10H2,1-2H3
InChIKeyBGEIPGZCCOCFLN-UHFFFAOYSA-N
XLogP0.44
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate (CID 69049862) is [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate is CC(C)CC(OC(=O)N1CCOCC1)C(=O)N1CCC2OCC(=O)C21.
What is the InChIKey of [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate?
The InChIKey is BGEIPGZCCOCFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-11(2)9-14(25-17(22)18-5-7-23-8-6-18)16(21)19-4-3-13-15(19)12(20)10-24-13/h11,13-15H,3-10H2,1-2H3.
What are the key properties of [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate?
[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate has a molecular weight of 354.40 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 69049862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).