tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate

C15H25FN2O3 — CID 118447024

IUPACtert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)C2(F)CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H25FN2O3/c1-13(2,3)21-12(20)18-9-15(16,10-18)11(19)17-7-6-14(4,5)8-17/h6-10H2,1-5H3
InChIKeyWKQMDVNSKBPGSC-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.20
Rot. Bonds1

About tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate

tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate (PubChem CID 118447024) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate
PubChem CID118447024
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Nametert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)C2(F)CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H25FN2O3/c1-13(2,3)21-12(20)18-9-15(16,10-18)11(19)17-7-6-14(4,5)8-17/h6-10H2,1-5H3
InChIKeyWKQMDVNSKBPGSC-UHFFFAOYSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate (CID 118447024) is tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate is CC1(C)CCN(C(=O)C2(F)CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate?
The InChIKey is WKQMDVNSKBPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O3/c1-13(2,3)21-12(20)18-9-15(16,10-18)11(19)17-7-6-14(4,5)8-17/h6-10H2,1-5H3.
What are the key properties of tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate has a molecular weight of 300.37 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 118447024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).