tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate

C20H30FN3O3 — CID 119037327

IUPACtert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)C1CCN(c2ccccc2F)C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C20H30FN3O3/c1-20(2,3)27-19(26)23(5)13-8-12-22(4)17-11-14-24(18(17)25)16-10-7-6-9-15(16)21/h6-7,9-10,17H,8,11-14H2,1-5H3
InChIKeyXZUDXJVPBWUEBY-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.12
Rot. Bonds6

About tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate

tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate (PubChem CID 119037327) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
PubChem CID119037327
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Nametert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)C1CCN(c2ccccc2F)C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C20H30FN3O3/c1-20(2,3)27-19(26)23(5)13-8-12-22(4)17-11-14-24(18(17)25)16-10-7-6-9-15(16)21/h6-7,9-10,17H,8,11-14H2,1-5H3
InChIKeyXZUDXJVPBWUEBY-UHFFFAOYSA-N
XLogP3.12
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
(3S)-1-(2-fluorophenyl)-3-[methyl-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 95783539
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113
methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 97159507
tert-butyl N-[3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propyl]-N-methylcarbamate
CID 146146034
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate (CID 119037327) is tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate is CN(CCCN(C)C1CCN(c2ccccc2F)C1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
The InChIKey is XZUDXJVPBWUEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-20(2,3)27-19(26)23(5)13-8-12-22(4)17-11-14-24(18(17)25)16-10-7-6-9-15(16)21/h6-7,9-10,17H,8,11-14H2,1-5H3.
What are the key properties of tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate has a molecular weight of 379.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 119037327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).