tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate

C14H24N2O4 — CID 67772156

IUPACtert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CC(O)C1)C1CCC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-11(9-5-4-6-9)12(18)16-7-10(17)8-16/h9-11,17H,4-8H2,1-3H3,(H,15,19)
InChIKeyGOBOOUNTYMCXLP-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.88
Rot. Bonds3

About tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate

tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 67772156) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
PubChem CID67772156
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CC(O)C1)C1CCC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-11(9-5-4-6-9)12(18)16-7-10(17)8-16/h9-11,17H,4-8H2,1-3H3,(H,15,19)
InChIKeyGOBOOUNTYMCXLP-UHFFFAOYSA-N
XLogP0.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-cyclobutyl-2-(2-ethyl-1,4-oxazepan-4-yl)-2-oxoethyl]carbamate
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4-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2-methylpiperazine-1-carboxylic acid
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tert-butyl N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
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tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
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tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
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cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
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(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
CID 175191269
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate (CID 67772156) is tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NC(C(=O)N1CC(O)C1)C1CCC1.
What is the InChIKey of tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is GOBOOUNTYMCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-11(9-5-4-6-9)12(18)16-7-10(17)8-16/h9-11,17H,4-8H2,1-3H3,(H,15,19).
What are the key properties of tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate?
tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 67772156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).