tert-butyl 2-oxoazetidine-1-carboxylate

C8H13NO3 — CID 23179885

IUPACtert-butyl 2-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-5-4-6(9)10/h4-5H2,1-3H3
InChIKeyURGXFCXAAYSLPO-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.15
Rot. Bonds

About tert-butyl 2-oxoazetidine-1-carboxylate

tert-butyl 2-oxoazetidine-1-carboxylate (PubChem CID 23179885) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is tert-butyl 2-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxoazetidine-1-carboxylate
PubChem CID23179885
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nametert-butyl 2-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-5-4-6(9)10/h4-5H2,1-3H3
InChIKeyURGXFCXAAYSLPO-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-formylazetidine-1-carboxylate
CID 10726182
1-(tert-Butoxycarbonyl)azetidine
CID 11205910
tert-Butyl 3-acetylazetidine-1-carboxylate
CID 59841137
Tert-butyl 3-carbonofluoridoylazetidine-1-carboxylate
CID 118155290
Tert-butyl 3-carbamoyl-3-fluoroazetidine-1-carboxylate
CID 126504386
Tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate
CID 166546969
Propan-2-yl 2-oxoazetidine-1-carboxylate
CID 17875548
Ethyl 2-oxoazetidine-1-carboxylate
CID 23562770
Butyl 2-oxoazetidine-1-carboxylate
CID 54367305
CID 58221783
CID 58221783
Tert-butyl 3-(dimethylcarbamoyl)azetidine-1-carboxylate
CID 59492610
Tert-butyl-2-methyl-4-oxoazetidine-1-carboxylate
CID 66700218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-oxoazetidine-1-carboxylate (CID 23179885) is tert-butyl 2-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-oxoazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1=O.
What is the InChIKey of tert-butyl 2-oxoazetidine-1-carboxylate?
The InChIKey is URGXFCXAAYSLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-5-4-6(9)10/h4-5H2,1-3H3.
What are the key properties of tert-butyl 2-oxoazetidine-1-carboxylate?
tert-butyl 2-oxoazetidine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxoazetidine-1-carboxylate is sourced from PubChem (CID 23179885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).