tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate

C13H26N2O4 — CID 80560818

IUPACtert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
SMILESCOC(CNC1CC(NC(=O)OC(C)(C)C)C1)OC
InChIInChI=1S/C13H26N2O4/c1-13(2,3)19-12(16)15-10-6-9(7-10)14-8-11(17-4)18-5/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyQLYPGWPEIWUFIQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.25
Rot. Bonds6

About tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate (PubChem CID 80560818) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
PubChem CID80560818
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Nametert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
SMILESCOC(CNC1CC(NC(=O)OC(C)(C)C)C1)OC
InChIInChI=1S/C13H26N2O4/c1-13(2,3)19-12(16)15-10-6-9(7-10)14-8-11(17-4)18-5/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyQLYPGWPEIWUFIQ-UHFFFAOYSA-N
XLogP1.25
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
CID 106171027
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate (CID 80560818) is tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate is COC(CNC1CC(NC(=O)OC(C)(C)C)C1)OC.
What is the InChIKey of tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate?
The InChIKey is QLYPGWPEIWUFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)19-12(16)15-10-6-9(7-10)14-8-11(17-4)18-5/h9-11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80560818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).