tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate

C14H26N2O3 — CID 178017857

IUPACtert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate
SMILESCC(C)NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)15-11(17)14(6)7-10(8-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyOMZOTHJPRWPVSS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate

tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate (PubChem CID 178017857) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate
PubChem CID178017857
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate
SMILESCC(C)NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)15-11(17)14(6)7-10(8-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyOMZOTHJPRWPVSS-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
CID 155092613
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,3-dicarboxylic acid
CID 91079209
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate (CID 178017857) is tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate is CC(C)NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate?
The InChIKey is OMZOTHJPRWPVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)15-11(17)14(6)7-10(8-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate?
tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate is sourced from PubChem (CID 178017857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).