tert-butyl azetidine-1-carboxylate iodide

C8H15INO2- — CID 86693715

IUPACtert-butyl azetidine-1-carboxylate iodide
SMILESCC(C)(C)OC(=O)N1CCC1.[I-]
InChIInChI=1S/C8H15NO2.HI/c1-8(2,3)11-7(10)9-5-4-6-9;/h4-6H2,1-3H3;1H/p-1
InChIKeyULOQUPKCASGRET-UHFFFAOYSA-M
MW284.12 g/mol
LogP-1.37
Rot. Bonds

About tert-butyl azetidine-1-carboxylate iodide

tert-butyl azetidine-1-carboxylate iodide (PubChem CID 86693715) has the molecular formula C8H15INO2- and a molecular weight of 284.12 g/mol. Its IUPAC name is tert-butyl azetidine-1-carboxylate iodide.

Molecular Properties

Compound Nametert-butyl azetidine-1-carboxylate iodide
PubChem CID86693715
Molecular FormulaC8H15INO2-
Molecular Weight284.12 g/mol
Exact Mass284.02
IUPAC Nametert-butyl azetidine-1-carboxylate iodide
SMILESCC(C)(C)OC(=O)N1CCC1.[I-]
InChIInChI=1S/C8H15NO2.HI/c1-8(2,3)11-7(10)9-5-4-6-9;/h4-6H2,1-3H3;1H/p-1
InChIKeyULOQUPKCASGRET-UHFFFAOYSA-M
XLogP-1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-alumanyl-1,4-diazepane-1-carboxylate
CID 154554278
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl 4-(2-bromoethyl)-1,4-diazepane-1-carboxylate
CID 114293385
tert-butyl 4-(1-methylcyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 58147649

Frequently Asked Questions

What is the IUPAC name of tert-butyl azetidine-1-carboxylate iodide?
The IUPAC name of tert-butyl azetidine-1-carboxylate iodide (CID 86693715) is tert-butyl azetidine-1-carboxylate iodide.
What is the SMILES notation for tert-butyl azetidine-1-carboxylate iodide?
The canonical SMILES for tert-butyl azetidine-1-carboxylate iodide is CC(C)(C)OC(=O)N1CCC1.[I-].
What is the InChIKey of tert-butyl azetidine-1-carboxylate iodide?
The InChIKey is ULOQUPKCASGRET-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO2.HI/c1-8(2,3)11-7(10)9-5-4-6-9;/h4-6H2,1-3H3;1H/p-1.
What are the key properties of tert-butyl azetidine-1-carboxylate iodide?
tert-butyl azetidine-1-carboxylate iodide has a molecular weight of 284.12 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl azetidine-1-carboxylate iodide is sourced from PubChem (CID 86693715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).