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

C13H23N3O3 — CID 58356171

IUPACtert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC1N1CCNC1=O
InChIInChI=1S/C13H23N3O3/c1-9-7-15(12(18)19-13(2,3)4)8-10(9)16-6-5-14-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyJZXMFHCUBQZYNL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.27
Rot. Bonds1

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

tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 58356171) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID58356171
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC1N1CCNC1=O
InChIInChI=1S/C13H23N3O3/c1-9-7-15(12(18)19-13(2,3)4)8-10(9)16-6-5-14-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyJZXMFHCUBQZYNL-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
CID 45089548
tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate
CID 45089533
rac-tert-butyl N-[(3R,4S)-4-methylpyrrolidin-3-yl]carbamate
CID 53686699
(S)-Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
CID 7171888
rac-tert-butyl (1R,4R,5S)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 11586455
tert-butyl (3R,4R)-3-amino-4-methylpyrrolidine-1-carboxylate
CID 40152183
tert-butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
CID 45089543
tert-Butyl 3-(propylamino)pyrrolidine-1-carboxylate
CID 50987929
tert-butyl N-ethyl-N-(pyrrolidin-3-yl)carbamate
CID 53404744
1,1-Dimethylethyl N-ethyl-N-(3S)-3-pyrrolidinylcarbamate
CID 57497863
Tert-butyl 3-(carbamoylamino)pyrrolidine-1-carboxylate
CID 72246446

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate (CID 58356171) is tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC1N1CCNC1=O.
What is the InChIKey of tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is JZXMFHCUBQZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-7-15(12(18)19-13(2,3)4)8-10(9)16-6-5-14-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-(2-oxoimidazolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58356171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).