(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one

C13H11FN2O2 — CID 124503350

IUPAC(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1
InChIInChI=1S/C13H11FN2O2/c14-8-3-5-9(6-4-8)16-12(11(15)13(16)17)10-2-1-7-18-10/h1-7,11-12H,15H2/t11-,12-/m0/s1
InChIKeyZQPGBXZKMDIHCU-RYUDHWBXSA-N
MW246.24 g/mol
LogP1.83
Rot. Bonds2

About (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one

(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one (PubChem CID 124503350) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one
PubChem CID124503350
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1
InChIInChI=1S/C13H11FN2O2/c14-8-3-5-9(6-4-8)16-12(11(15)13(16)17)10-2-1-7-18-10/h1-7,11-12H,15H2/t11-,12-/m0/s1
InChIKeyZQPGBXZKMDIHCU-RYUDHWBXSA-N
XLogP1.83
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 124503328
(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one
CID 124503336
(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11878355
(3R,4R)-4-(furan-2-yl)-1,3-diphenylazetidin-2-one
CID 11346786
(2R)-3-(4-fluorophenyl)-2-(furan-2-yl)-1,2-dihydroquinazolin-4-one
CID 7027322
2-(4-fluorophenyl)-3-(furan-2-yl)-3,4,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-4-ium-1-one
CID 3279580
4-(furan-2-yl)-3-methoxy-1-(4-methoxyphenyl)azetidin-2-one
CID 73312428
actinium;(4R)-4-(furan-2-yl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 59880313
(4Z)-1-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108653588
3-amino-4-(furan-2-yl)azetidin-2-one
CID 82417177
(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503605
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503428

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one (CID 124503350) is (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one is N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1.
What is the InChIKey of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one?
The InChIKey is ZQPGBXZKMDIHCU-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-8-3-5-9(6-4-8)16-12(11(15)13(16)17)10-2-1-7-18-10/h1-7,11-12H,15H2/t11-,12-/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one?
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one has a molecular weight of 246.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one is sourced from PubChem (CID 124503350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).