methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate

C11H18F2N2O3 — CID 123916372

IUPACmethyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCC(F)(F)C1)C(C)C
InChIInChI=1S/C11H18F2N2O3/c1-7(2)8(14-10(17)18-3)9(16)15-5-4-11(12,13)6-15/h7-8H,4-6H2,1-3H3,(H,14,17)
InChIKeyUXQQDWSGDJRIBZ-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.23
Rot. Bonds3

About methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 123916372) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID123916372
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Namemethyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCC(F)(F)C1)C(C)C
InChIInChI=1S/C11H18F2N2O3/c1-7(2)8(14-10(17)18-3)9(16)15-5-4-11(12,13)6-15/h7-8H,4-6H2,1-3H3,(H,14,17)
InChIKeyUXQQDWSGDJRIBZ-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate 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 methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate (CID 123916372) is methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCC(F)(F)C1)C(C)C.
What is the InChIKey of methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is UXQQDWSGDJRIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7(2)8(14-10(17)18-3)9(16)15-5-4-11(12,13)6-15/h7-8H,4-6H2,1-3H3,(H,14,17).
What are the key properties of methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 264.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3,3-difluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 123916372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).