tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate

C11H21NO3 — CID 116861144

IUPACtert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C1CCC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(13)8-5-4-6-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyWAHVGJPIRTVAMF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.67
Rot. Bonds3

About tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate

tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate (PubChem CID 116861144) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
PubChem CID116861144
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C1CCC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(13)8-5-4-6-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyWAHVGJPIRTVAMF-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
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2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-(cyclobutylmethyl)carbamate
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tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate (CID 116861144) is tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)NCC(O)C1CCC1.
What is the InChIKey of tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
The InChIKey is WAHVGJPIRTVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(13)8-5-4-6-8/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate?
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate is sourced from PubChem (CID 116861144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).