tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate

C11H22N2O2 — CID 162423539

IUPACtert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
SMILESCCN[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-12-8-6-7-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyVZWNKVPEVGIUME-IUCAKERBSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate

tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate (PubChem CID 162423539) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
PubChem CID162423539
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
SMILESCCN[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-12-8-6-7-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyVZWNKVPEVGIUME-IUCAKERBSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate
CID 141130030

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate (CID 162423539) is tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate is CCN[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate?
The InChIKey is VZWNKVPEVGIUME-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-12-8-6-7-9(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-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate?
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 162423539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).