diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate

C20H28N2O7 — CID 108762179

IUPACdiethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1C(=O)OCC
InChIInChI=1S/C20H28N2O7/c1-7-27-18(25)14-11(3)29-17(15(14)19(26)28-8-2)21-16(24)12-9-13(23)22(10-12)20(4,5)6/h12H,7-10H2,1-6H3,(H,21,24)
InChIKeyHFSODZZGCJRWRA-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.53
Rot. Bonds6

About diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate

diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate (PubChem CID 108762179) has the molecular formula C20H28N2O7 and a molecular weight of 408.45 g/mol. Its IUPAC name is diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
PubChem CID108762179
Molecular FormulaC20H28N2O7
Molecular Weight408.45 g/mol
Exact Mass408.19
IUPAC Namediethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1C(=O)OCC
InChIInChI=1S/C20H28N2O7/c1-7-27-18(25)14-11(3)29-17(15(14)19(26)28-8-2)21-16(24)12-9-13(23)22(10-12)20(4,5)6/h12H,7-10H2,1-6H3,(H,21,24)
InChIKeyHFSODZZGCJRWRA-UHFFFAOYSA-N
XLogP2.53
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 6471772
ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 21230126
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761568
ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
CID 17308546
ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 108801257
ethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755534
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
CID 108733749
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9352536
1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
butyl N-[2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572325

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate (CID 108762179) is diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate?
The InChIKey is HFSODZZGCJRWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O7/c1-7-27-18(25)14-11(3)29-17(15(14)19(26)28-8-2)21-16(24)12-9-13(23)22(10-12)20(4,5)6/h12H,7-10H2,1-6H3,(H,21,24).
What are the key properties of diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate?
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108762179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).