tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate

C14H25N3O3 — CID 58356141

IUPACtert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC1N1CCN(C)C1=O
InChIInChI=1S/C14H25N3O3/c1-10-8-16(13(19)20-14(2,3)4)9-11(10)17-7-6-15(5)12(17)18/h10-11H,6-9H2,1-5H3
InChIKeySTOFTOUVXFAXPB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.61
Rot. Bonds1

About tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 58356141) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID58356141
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC1N1CCN(C)C1=O
InChIInChI=1S/C14H25N3O3/c1-10-8-16(13(19)20-14(2,3)4)9-11(10)17-7-6-15(5)12(17)18/h10-11H,6-9H2,1-5H3
InChIKeySTOFTOUVXFAXPB-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpyrrolidine-1-carboxylate
CID 66673981
Tert-butyl 3-fluoro-4-pyrrolidin-1-ylpyrrolidine-1-carboxylate
CID 77161346
(+/-)-cis-4'-Fluoro-[1,3']bipyrrolidinyl-1'-carboxylic acid tert-butyl ester
CID 86638157
tert-butyl 3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 166508124
tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate
CID 11218444
Tert-butyl 4-methyl-2-oxo-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidine-1-carboxylate
CID 19753290
Tert-butyl 5-methyl-2-oxo-3-(4-pyrrolidin-1-ylbut-2-ynyl)imidazolidine-1-carboxylate
CID 19753303
[(R)-1-((R)-Pyrrolidin-3-ylcarbamoyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
CID 58024990
Tert-butyl 3-methyl-4-(propylcarbamoylamino)pyrrolidine-1-carboxylate
CID 58356025
Tert-butyl 3-methyl-4-(methylcarbamoylamino)pyrrolidine-1-carboxylate
CID 58356149
Tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
CID 58356171
tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 58688941

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate (CID 58356141) is tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC1N1CCN(C)C1=O.
What is the InChIKey of tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is STOFTOUVXFAXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-8-16(13(19)20-14(2,3)4)9-11(10)17-7-6-15(5)12(17)18/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58356141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).