tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate

C10H17NO4 — CID 171798737

IUPACtert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(OC=O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-5-10(4,6-11)14-7-12/h7H,5-6H2,1-4H3
InChIKeyCGFRLHVCHKUMFV-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds2

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

tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate (PubChem CID 171798737) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate
PubChem CID171798737
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(OC=O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-5-10(4,6-11)14-7-12/h7H,5-6H2,1-4H3
InChIKeyCGFRLHVCHKUMFV-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate
CID 162385912
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 3-(difluoromethyl)-3-formylazetidine-1-carboxylate
CID 178013714
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
CID 150244500
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-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate (CID 171798737) is tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C)(OC=O)C1.
What is the InChIKey of tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate?
The InChIKey is CGFRLHVCHKUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-5-10(4,6-11)14-7-12/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate?
tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 171798737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).