tert-butyl 3-methoxyazetidine-1-carboxylate

C9H17NO3 — CID 22243050

IUPACtert-butyl 3-methoxyazetidine-1-carboxylate
SMILESCOC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3
InChIKeyZENIBVFXWKRVMK-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds1

About tert-butyl 3-methoxyazetidine-1-carboxylate

tert-butyl 3-methoxyazetidine-1-carboxylate (PubChem CID 22243050) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 3-methoxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxyazetidine-1-carboxylate
PubChem CID22243050
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 3-methoxyazetidine-1-carboxylate
SMILESCOC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3
InChIKeyZENIBVFXWKRVMK-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxyazetidine-1-carboxylate (CID 22243050) is tert-butyl 3-methoxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxyazetidine-1-carboxylate is COC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methoxyazetidine-1-carboxylate?
The InChIKey is ZENIBVFXWKRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-methoxyazetidine-1-carboxylate?
tert-butyl 3-methoxyazetidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxyazetidine-1-carboxylate is sourced from PubChem (CID 22243050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).