tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate

C12H19NO4 — CID 162516738

IUPACtert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OC2CC(=O)C2)C1
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-6-10(7-13)16-9-4-8(14)5-9/h9-10H,4-7H2,1-3H3
InChIKeyAWFMWHPAKVPVGX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate

tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate (PubChem CID 162516738) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate
PubChem CID162516738
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OC2CC(=O)C2)C1
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-6-10(7-13)16-9-4-8(14)5-9/h9-10H,4-7H2,1-3H3
InChIKeyAWFMWHPAKVPVGX-UHFFFAOYSA-N
XLogP1.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate (CID 162516738) is tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(OC2CC(=O)C2)C1.
What is the InChIKey of tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate?
The InChIKey is AWFMWHPAKVPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-6-10(7-13)16-9-4-8(14)5-9/h9-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate?
tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate is sourced from PubChem (CID 162516738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).