tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate

C11H21FN2O2 — CID 163762600

IUPACtert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@]1(C)CNCC1F
InChIInChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14(5)11(4)7-13-6-8(11)12/h8,13H,6-7H2,1-5H3/t8?,11-/m1/s1
InChIKeyLZMGJSNDWANWKB-QHDYGNBISA-N
MW232.30 g/mol
LogP1.55
Rot. Bonds1

About tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 163762600) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate
PubChem CID163762600
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@]1(C)CNCC1F
InChIInChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14(5)11(4)7-13-6-8(11)12/h8,13H,6-7H2,1-5H3/t8?,11-/m1/s1
InChIKeyLZMGJSNDWANWKB-QHDYGNBISA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
CID 98454271
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S,4R)-3-benzyl-4-phenylpyrrolidin-3-yl]-N-methylcarbamate
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tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
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tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
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tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate (CID 163762600) is tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@]1(C)CNCC1F.
What is the InChIKey of tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is LZMGJSNDWANWKB-QHDYGNBISA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14(5)11(4)7-13-6-8(11)12/h8,13H,6-7H2,1-5H3/t8?,11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 232.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 163762600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).