tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate

C10H17NO3 — CID 84668963

IUPACtert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate
SMILESCC1C(=O)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-7(5-8(6)12)11-9(13)14-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)
InChIKeySYQFUQUFNMJAJE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate

tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate (PubChem CID 84668963) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate
PubChem CID84668963
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate
SMILESCC1C(=O)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-7(5-8(6)12)11-9(13)14-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)
InChIKeySYQFUQUFNMJAJE-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 3-oxocyclobutylcarbamate
CID 23374584
tert-butyl N-(3-oxopentyl)carbamate
CID 89229060
cis-3-(Boc-Aminomethyl)cyclobutylamine
CID 66005791
tert-butyl N-((3-oxocyclobutyl)methyl)carbamate
CID 19794273
rac-tert-butyl N-((1r,3r)-3-formylcyclobutyl)carbamate
CID 45091922
tert-butyl N-((1S)-3-oxocyclopentyl)carbamate
CID 45091924
tert-butyl N-(4-oxopentan-2-yl)carbamate
CID 45091969
tert-Butyl (3-oxocyclopentyl)carbamate
CID 53427213
tert-butyl N-(3-acetylcyclobutyl)carbamate
CID 58356091
tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate
CID 66787499
Carbamic acid, N-(2,2-dimethyl-3-oxocyclobutyl)-, 1,1-dimethylethyl ester
CID 84679804
tert-butyl N-[2-(3-oxocyclobutyl)ethyl]carbamate
CID 121207913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate (CID 84668963) is tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate is CC1C(=O)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate?
The InChIKey is SYQFUQUFNMJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-7(5-8(6)12)11-9(13)14-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate?
tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-3-oxocyclobutyl)carbamate is sourced from PubChem (CID 84668963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).