(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

C18H23FN2O3 — CID 97154166

IUPAC(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@H](C(=O)N2CC(Oc3ccc(F)cc3)C2)CC1=O
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-15(11-20)24-14-6-4-13(19)5-7-14/h4-7,12,15H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyDFOZOLLULPEBCF-GFCCVEGCSA-N
MW334.39 g/mol
LogP2.06
Rot. Bonds3

About (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97154166) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97154166
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@H](C(=O)N2CC(Oc3ccc(F)cc3)C2)CC1=O
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-15(11-20)24-14-6-4-13(19)5-7-14/h4-7,12,15H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyDFOZOLLULPEBCF-GFCCVEGCSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97156288
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
1-tert-butyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535476
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
1-tert-butyl-N-[3-(4-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741168
(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone
CID 99955291
2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 119073145
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 97154166) is (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1C[C@H](C(=O)N2CC(Oc3ccc(F)cc3)C2)CC1=O.
What is the InChIKey of (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DFOZOLLULPEBCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-15(11-20)24-14-6-4-13(19)5-7-14/h4-7,12,15H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 334.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97154166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).