tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate

C15H27NO5 — CID 25220860

IUPACtert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
SMILESCC(C)(C)OC(=O)NC1(COC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C15H27NO5/c1-13(2,3)20-11(17)16-15(8-7-9-15)10-19-12(18)21-14(4,5)6/h7-10H2,1-6H3,(H,16,17)
InChIKeyFNYPNRSCMNVOAU-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate

tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate (PubChem CID 25220860) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
PubChem CID25220860
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
SMILESCC(C)(C)OC(=O)NC1(COC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C15H27NO5/c1-13(2,3)20-11(17)16-15(8-7-9-15)10-19-12(18)21-14(4,5)6/h7-10H2,1-6H3,(H,16,17)
InChIKeyFNYPNRSCMNVOAU-UHFFFAOYSA-N
XLogP3.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
CID 104537392
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
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106

Frequently Asked Questions

What is the IUPAC name of tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate?
The IUPAC name of tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate (CID 25220860) is tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate.
What is the SMILES notation for tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate?
The canonical SMILES for tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate is CC(C)(C)OC(=O)NC1(COC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate?
The InChIKey is FNYPNRSCMNVOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-13(2,3)20-11(17)16-15(8-7-9-15)10-19-12(18)21-14(4,5)6/h7-10H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate?
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate has a molecular weight of 301.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate is sourced from PubChem (CID 25220860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).