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

C18H23FN2O3 — CID 97156288

IUPAC(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CC1=O
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-13(11-20)24-15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3/t12-/m0/s1
InChIKeyBPFWGEMZYUZLRJ-LBPRGKRZSA-N
MW334.39 g/mol
LogP2.06
Rot. Bonds3

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

(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97156288) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97156288
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CC1=O
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-13(11-20)24-15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3/t12-/m0/s1
InChIKeyBPFWGEMZYUZLRJ-LBPRGKRZSA-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

1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97154166
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97274959
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
1-tert-butyl-4-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535415
1-tert-butyl-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108538210
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97202403
(4S)-1-tert-butyl-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 97132856

Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 97156288) is (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CC1=O.
What is the InChIKey of (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BPFWGEMZYUZLRJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(2,3)21-9-12(8-16(21)22)17(23)20-10-13(11-20)24-15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-tert-butyl-4-[3-(2-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 (4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97156288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).