tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate

C13H25NO2 — CID 59743771

IUPACtert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
SMILESCC(C)CC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-13(7-6-8-13)14-11(15)16-12(3,4)5/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyVUXZIMGZBUMLPM-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate

tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate (PubChem CID 59743771) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
PubChem CID59743771
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
SMILESCC(C)CC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-13(7-6-8-13)14-11(15)16-12(3,4)5/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyVUXZIMGZBUMLPM-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
CID 10729698
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate (CID 59743771) is tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate is CC(C)CC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate?
The InChIKey is VUXZIMGZBUMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-13(7-6-8-13)14-11(15)16-12(3,4)5/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate?
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate is sourced from PubChem (CID 59743771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).