tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate

C10H19NO3 — CID 58530249

IUPACtert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
SMILESCOC1(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-10(4,7-11)13-5/h6-7H2,1-5H3
InChIKeyXHAOOTMWIHLZHM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.64
Rot. Bonds1

About tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate

tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate (PubChem CID 58530249) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
PubChem CID58530249
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
SMILESCOC1(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-10(4,7-11)13-5/h6-7H2,1-5H3
InChIKeyXHAOOTMWIHLZHM-UHFFFAOYSA-N
XLogP1.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171798737
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tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate
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CID 158331530
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tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
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1-O-tert-butyl 3-O-methyl 3-bromoazetidine-1,3-dicarboxylate
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tert-butyl 3-(1-iodoethenyl)-3-methylazetidine-1-carboxylate
CID 90219761
tert-butyl 3-methyl-3-(2-oxopropyl)azetidine-1-carboxylate
CID 126745334
tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate (CID 58530249) is tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate is COC1(C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate?
The InChIKey is XHAOOTMWIHLZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-10(4,7-11)13-5/h6-7H2,1-5H3.
What are the key properties of tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate?
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 58530249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).