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

C12H24N2O2 — CID 68861367

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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