(3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one

C14H19NO2 — CID 15408095

IUPAC(3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one
SMILESCC(C)C[C@@H]1CN(OCc2ccccc2)C1=O
InChIInChI=1S/C14H19NO2/c1-11(2)8-13-9-15(14(13)16)17-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyOQCYSJKSFQTNRT-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds5

About (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one

(3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one (PubChem CID 15408095) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one
PubChem CID15408095
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one
SMILESCC(C)C[C@@H]1CN(OCc2ccccc2)C1=O
InChIInChI=1S/C14H19NO2/c1-11(2)8-13-9-15(14(13)16)17-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyOQCYSJKSFQTNRT-CYBMUJFWSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one (CID 15408095) is (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one is CC(C)C[C@@H]1CN(OCc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one?
The InChIKey is OQCYSJKSFQTNRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(2)8-13-9-15(14(13)16)17-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one?
(3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-1-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 15408095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).