tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate

C11H21FN2O2 — CID 103098260

IUPACtert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@@H]1C[C@@H](F)CN1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(4)7-9-5-8(12)6-13-9/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyZOZVFOIWQOWAES-BDAKNGLRSA-N
MW232.30 g/mol
LogP1.55
Rot. Bonds2

About tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 103098260) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID103098260
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@@H]1C[C@@H](F)CN1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(4)7-9-5-8(12)6-13-9/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyZOZVFOIWQOWAES-BDAKNGLRSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate
CID 146602499
tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
CID 174176634
tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
CID 70328210
N-cyclohexyl-2,2,2-trifluoro-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
CID 162549311
(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 130686259
tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
CID 98454271
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride
CID 129319825
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 103098260) is tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate is CN(C[C@@H]1C[C@@H](F)CN1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is ZOZVFOIWQOWAES-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(4)7-9-5-8(12)6-13-9/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 232.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 103098260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).