tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate

C13H23NO3 — CID 170391492

IUPACtert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate
SMILESCC[C@H]1OC[C@H](NC(=O)OC(C)(C)C)C2CC21
InChIInChI=1S/C13H23NO3/c1-5-11-9-6-8(9)10(7-16-11)14-12(15)17-13(2,3)4/h8-11H,5-7H2,1-4H3,(H,14,15)/t8?,9?,10-,11+/m0/s1
InChIKeyOYXUTXMUVIFFQZ-WFBLGPOFSA-N
MW241.33 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate

tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate (PubChem CID 170391492) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate
PubChem CID170391492
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate
SMILESCC[C@H]1OC[C@H](NC(=O)OC(C)(C)C)C2CC21
InChIInChI=1S/C13H23NO3/c1-5-11-9-6-8(9)10(7-16-11)14-12(15)17-13(2,3)4/h8-11H,5-7H2,1-4H3,(H,14,15)/t8?,9?,10-,11+/m0/s1
InChIKeyOYXUTXMUVIFFQZ-WFBLGPOFSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 170391498
tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate
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tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
CID 174621376
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate (CID 170391492) is tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate is CC[C@H]1OC[C@H](NC(=O)OC(C)(C)C)C2CC21.
What is the InChIKey of tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate?
The InChIKey is OYXUTXMUVIFFQZ-WFBLGPOFSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-11-9-6-8(9)10(7-16-11)14-12(15)17-13(2,3)4/h8-11H,5-7H2,1-4H3,(H,14,15)/t8?,9?,10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate?
tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate is sourced from PubChem (CID 170391492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).