tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate

C11H22N2O2 — CID 22880752

IUPACtert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
SMILESCC[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyZMINYRNMXRJBPI-IUCAKERBSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds2

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

tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate (PubChem CID 22880752) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
PubChem CID22880752
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
SMILESCC[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyZMINYRNMXRJBPI-IUCAKERBSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate
CID 137480727
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670
tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate (CID 22880752) is tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate is CC[C@H]1CNC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate?
The InChIKey is ZMINYRNMXRJBPI-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 22880752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).