2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate

C20H37NO4 — CID 161302334

IUPAC2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)(C)C)C1
InChIInChI=1S/C20H37NO4/c1-10-18(6,7)15(22)24-20(17(3,4)5)12-13-21(14-20)16(23)25-19(8,9)11-2/h10-14H2,1-9H3
InChIKeyJGSLJKOATFKGOM-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.78
Rot. Bonds5

About 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate

2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate (PubChem CID 161302334) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
PubChem CID161302334
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)(C)C)C1
InChIInChI=1S/C20H37NO4/c1-10-18(6,7)15(22)24-20(17(3,4)5)12-13-21(14-20)16(23)25-19(8,9)11-2/h10-14H2,1-9H3
InChIKeyJGSLJKOATFKGOM-UHFFFAOYSA-N
XLogP4.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 158168486
2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 157292574
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 3-(2,2-dimethylbutanoyloxy)-3-methylpyrrolidine-1-carboxylate
CID 159331362
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
CID 162159070
2-methylbutan-2-yl (3S)-3-methyl-3-phenylpyrrolidine-1-carboxylate
CID 174192662
tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate
CID 158184004
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
CID 174192661
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 161454309
2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
CID 70958185

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate (CID 161302334) is 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)(C)C)C1.
What is the InChIKey of 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate?
The InChIKey is JGSLJKOATFKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4/c1-10-18(6,7)15(22)24-20(17(3,4)5)12-13-21(14-20)16(23)25-19(8,9)11-2/h10-14H2,1-9H3.
What are the key properties of 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate?
2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate has a molecular weight of 355.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 161302334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).