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

C11H19NO3 — CID 86175322

IUPACtert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CC=O)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-6-8(7-9)4-5-13/h5,8-9H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyVGPJTIFKZYJWDP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

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

tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate (PubChem CID 86175322) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate
PubChem CID86175322
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CC=O)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-6-8(7-9)4-5-13/h5,8-9H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyVGPJTIFKZYJWDP-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate (CID 86175322) is tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(CC=O)C1.
What is the InChIKey of tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate?
The InChIKey is VGPJTIFKZYJWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-9-6-8(7-9)4-5-13/h5,8-9H,4,6-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate?
tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-oxoethyl)cyclobutyl]carbamate is sourced from PubChem (CID 86175322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).