1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate

C11H18FNO4 — CID 178087944

IUPAC1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate
SMILESCOC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C11H18FNO4/c1-7-11(12,8(14)16-5)6-13(7)9(15)17-10(2,3)4/h7H,6H2,1-5H3
InChIKeyBFEWEMBOHCTNLJ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.51
Rot. Bonds1

About 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate (PubChem CID 178087944) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate
PubChem CID178087944
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate
SMILESCOC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C11H18FNO4/c1-7-11(12,8(14)16-5)6-13(7)9(15)17-10(2,3)4/h7H,6H2,1-5H3
InChIKeyBFEWEMBOHCTNLJ-UHFFFAOYSA-N
XLogP1.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate (CID 178087944) is 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate is COC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate?
The InChIKey is BFEWEMBOHCTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-7-11(12,8(14)16-5)6-13(7)9(15)17-10(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate has a molecular weight of 247.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate is sourced from PubChem (CID 178087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).