tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate

C10H19FN2O2 — CID 146161401

IUPACtert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate
SMILESCN1C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)12-8-6-13(4)5-7(8)11/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyZVYYLIDUJJALCN-SFYZADRCSA-N
MW218.27 g/mol
LogP1.16
Rot. Bonds1

About tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate (PubChem CID 146161401) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate
PubChem CID146161401
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Nametert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate
SMILESCN1C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)12-8-6-13(4)5-7(8)11/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyZVYYLIDUJJALCN-SFYZADRCSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-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 tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate (CID 146161401) is tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate is CN1C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate?
The InChIKey is ZVYYLIDUJJALCN-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)12-8-6-13(4)5-7(8)11/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate has a molecular weight of 218.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 146161401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).