1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one

C17H21FN2O3 — CID 99801776

IUPAC1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCC[C@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)N1CCCC1=O
InChIInChI=1S/C17H21FN2O3/c1-2-14(20-9-3-4-15(20)21)16(22)19-10-17(23,11-19)12-5-7-13(18)8-6-12/h5-8,14,23H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyWSIGPWYRTMZCLM-CQSZACIVSA-N
MW320.36 g/mol
LogP1.26
Rot. Bonds4

About 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one

1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 99801776) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID99801776
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCC[C@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)N1CCCC1=O
InChIInChI=1S/C17H21FN2O3/c1-2-14(20-9-3-4-15(20)21)16(22)19-10-17(23,11-19)12-5-7-13(18)8-6-12/h5-8,14,23H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyWSIGPWYRTMZCLM-CQSZACIVSA-N
XLogP1.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]propan-1-one
CID 99801778
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119636602
1-[(2S)-1-[4-[2-(dimethylamino)ethyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
CID 95784904
(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 124840387
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 75496726
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71972362
(2S)-3-[3-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]-5-methyl-2-propylhexanoic acid
CID 142089518

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one (CID 99801776) is 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one is CC[C@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)N1CCCC1=O.
What is the InChIKey of 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is WSIGPWYRTMZCLM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-2-14(20-9-3-4-15(20)21)16(22)19-10-17(23,11-19)12-5-7-13(18)8-6-12/h5-8,14,23H,2-4,9-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 99801776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).