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

C20H30FN3O3 — CID 100654412

IUPACtert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)[C@H]1CCN(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/t17-/m0/s1
InChIKeyXZUDXJVPBWUEBY-KRWDZBQOSA-N
MW379.48 g/mol
LogP3.12
Rot. Bonds6

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

tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate (PubChem CID 100654412) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
PubChem CID100654412
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Nametert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)[C@H]1CCN(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/t17-/m0/s1
InChIKeyXZUDXJVPBWUEBY-KRWDZBQOSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate (CID 100654412) is tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate is CN(CCCN(C)[C@H]1CCN(c2ccccc2F)C1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
The InChIKey is XZUDXJVPBWUEBY-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[[(3S)-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-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 100654412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).