(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one

C14H19NO2 — CID 10353943

IUPAC(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
SMILESCCCC[C@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-3-9-12-13(14(16)15-12)17-10-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,15,16)/t12-,13-/m1/s1
InChIKeyOXXIOUIHTAXZQT-CHWSQXEVSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds6

About (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one

(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one (PubChem CID 10353943) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
PubChem CID10353943
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
SMILESCCCC[C@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-3-9-12-13(14(16)15-12)17-10-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,15,16)/t12-,13-/m1/s1
InChIKeyOXXIOUIHTAXZQT-CHWSQXEVSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one (CID 10353943) is (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one is CCCC[C@H]1NC(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is OXXIOUIHTAXZQT-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-9-12-13(14(16)15-12)17-10-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,15,16)/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one?
(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).