(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one

C11H13NO2 — CID 102008054

IUPAC(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
SMILESC[C@H]1N(C)C(=O)[C@]1(O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-8-11(14,10(13)12(8)2)9-6-4-3-5-7-9/h3-8,14H,1-2H3/t8-,11-/m1/s1
InChIKeyFENPYEPNHDCZCH-LDYMZIIASA-N
MW191.23 g/mol
LogP0.73
Rot. Bonds1

About (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one

(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one (PubChem CID 102008054) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
PubChem CID102008054
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
SMILESC[C@H]1N(C)C(=O)[C@]1(O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-8-11(14,10(13)12(8)2)9-6-4-3-5-7-9/h3-8,14H,1-2H3/t8-,11-/m1/s1
InChIKeyFENPYEPNHDCZCH-LDYMZIIASA-N
XLogP0.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one (CID 102008054) is (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one is C[C@H]1N(C)C(=O)[C@]1(O)c1ccccc1.
What is the InChIKey of (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one?
The InChIKey is FENPYEPNHDCZCH-LDYMZIIASA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-11(14,10(13)12(8)2)9-6-4-3-5-7-9/h3-8,14H,1-2H3/t8-,11-/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one?
(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one is sourced from PubChem (CID 102008054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).