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

C12H24N2O2 — CID 68861367

IUPACtert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
SMILESCC[C@H]1CNC[C@]1(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-9-7-13-8-12(9,5)14-10(15)16-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-,12-/m0/s1
InChIKeyOQUHJPFMEGXJHA-CABZTGNLSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds2

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

tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate (PubChem CID 68861367) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
PubChem CID68861367
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
SMILESCC[C@H]1CNC[C@]1(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-9-7-13-8-12(9,5)14-10(15)16-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-,12-/m0/s1
InChIKeyOQUHJPFMEGXJHA-CABZTGNLSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
CID 135392464
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;methyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 158428152
tert-butyl N-(1,2-dimethylcyclopentyl)carbamate
CID 118317015
tert-butyl N-[[(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]carbamate
CID 167715942
tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
CID 130004224
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
methyl (3S,4S)-3-fluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-3-carboxylate;hydrochloride
CID 138040332
tert-butyl N-[(3S,4S)-3-hydroxy-4-prop-2-enoxypyrrolidin-3-yl]carbamate
CID 141093114
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate (CID 68861367) is tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate is CC[C@H]1CNC[C@]1(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate?
The InChIKey is OQUHJPFMEGXJHA-CABZTGNLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-9-7-13-8-12(9,5)14-10(15)16-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-,12-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.90, 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-ethyl-3-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 68861367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).