(3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one

C15H17FN2O4 — CID 11716508

IUPAC(3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
SMILESCN1C(=O)[C@@H](Oc2ccc(F)cc2)[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C15H17FN2O4/c1-17-12(14(19)18-6-8-21-9-7-18)13(15(17)20)22-11-4-2-10(16)3-5-11/h2-5,12-13H,6-9H2,1H3/t12-,13-/m0/s1
InChIKeyBAQUBNYAFCMVKU-STQMWFEESA-N
MW308.31 g/mol
LogP0.27
Rot. Bonds3

About (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one

(3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one (PubChem CID 11716508) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
PubChem CID11716508
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name(3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one
SMILESCN1C(=O)[C@@H](Oc2ccc(F)cc2)[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C15H17FN2O4/c1-17-12(14(19)18-6-8-21-9-7-18)13(15(17)20)22-11-4-2-10(16)3-5-11/h2-5,12-13H,6-9H2,1H3/t12-,13-/m0/s1
InChIKeyBAQUBNYAFCMVKU-STQMWFEESA-N
XLogP0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one (CID 11716508) is (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one is CN1C(=O)[C@@H](Oc2ccc(F)cc2)[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
The InChIKey is BAQUBNYAFCMVKU-STQMWFEESA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-17-12(14(19)18-6-8-21-9-7-18)13(15(17)20)22-11-4-2-10(16)3-5-11/h2-5,12-13H,6-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one?
(3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one has a molecular weight of 308.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(4-fluorophenoxy)-1-methyl-4-(morpholine-4-carbonyl)azetidin-2-one is sourced from PubChem (CID 11716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).