tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate

C10H17NO3 — CID 105452175

IUPACtert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(=O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7H,5-6H2,1-4H3
InChIKeyNZOCATWNHWABFY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.58
Rot. Bonds1

About tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate

tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate (PubChem CID 105452175) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate
PubChem CID105452175
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(=O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7H,5-6H2,1-4H3
InChIKeyNZOCATWNHWABFY-UHFFFAOYSA-N
XLogP1.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate (CID 105452175) is tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate is CN(C(=O)OC(C)(C)C)C1CC(=O)C1.
What is the InChIKey of tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate?
The InChIKey is NZOCATWNHWABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate?
tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-oxocyclobutyl)carbamate is sourced from PubChem (CID 105452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).