tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate

C11H19FN2O3 — CID 170711267

IUPACtert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate
SMILESCC(F)C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19FN2O3/c1-7(12)11(8(13)15)5-14(6-11)9(16)17-10(2,3)4/h7H,5-6H2,1-4H3,(H2,13,15)
InChIKeyFNZCSBHHMCOVEC-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.07
Rot. Bonds2

About tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate

tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate (PubChem CID 170711267) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate
PubChem CID170711267
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Nametert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate
SMILESCC(F)C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19FN2O3/c1-7(12)11(8(13)15)5-14(6-11)9(16)17-10(2,3)4/h7H,5-6H2,1-4H3,(H2,13,15)
InChIKeyFNZCSBHHMCOVEC-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate 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 tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate (CID 170711267) is tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate is CC(F)C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate?
The InChIKey is FNZCSBHHMCOVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-7(12)11(8(13)15)5-14(6-11)9(16)17-10(2,3)4/h7H,5-6H2,1-4H3,(H2,13,15).
What are the key properties of tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate?
tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate has a molecular weight of 246.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoyl-3-(1-fluoroethyl)azetidine-1-carboxylate is sourced from PubChem (CID 170711267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).