(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate

C11H22N2O2 — CID 155108973

IUPAC(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate
SMILESCCC1CNCC1OC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCTNYQVVJVODUMT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds2

About (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate

(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate (PubChem CID 155108973) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate
PubChem CID155108973
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate
SMILESCCC1CNCC1OC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCTNYQVVJVODUMT-UHFFFAOYSA-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

[(2S)-piperazin-2-yl] N-tert-butylcarbamate
CID 70136446
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate
CID 90924867
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123415309
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
pyrrolidin-2-yl N-tert-butylcarbamate
CID 91218699
(6-methylmorpholin-2-yl)methyl N-tert-butylcarbamate
CID 102635556

Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
The IUPAC name of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate (CID 155108973) is (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate is CCC1CNCC1OC(=O)NC(C)(C)C.
What is the InChIKey of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
The InChIKey is CTNYQVVJVODUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8-6-12-7-9(8)15-10(14)13-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate?
(4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate 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 (4-ethylpyrrolidin-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 155108973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).