tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate

C11H21NO4 — CID 142054635

IUPACtert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
SMILESCOC1(OC)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-8-6-11(7-8,14-4)15-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyPCIRKUYQIMNEMN-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds3

About tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate

tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate (PubChem CID 142054635) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
PubChem CID142054635
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
SMILESCOC1(OC)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-8-6-11(7-8,14-4)15-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyPCIRKUYQIMNEMN-UHFFFAOYSA-N
XLogP1.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
CID 155092613
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-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
CID 90063142
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-[3-methyl-3-(propan-2-ylcarbamoyl)cyclobutyl]carbamate
CID 178017857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate (CID 142054635) is tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate is COC1(OC)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate?
The InChIKey is PCIRKUYQIMNEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-8-6-11(7-8,14-4)15-5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate?
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate is sourced from PubChem (CID 142054635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).