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

C14H19NO2 — CID 20735664

IUPAC(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(C)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-11(13(16)15-12)17-9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyDOSNCPUYQQPTLT-VXGBXAGGSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds3

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

(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one (PubChem CID 20735664) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
PubChem CID20735664
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
SMILESCC(C)(C)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-11(13(16)15-12)17-9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyDOSNCPUYQQPTLT-VXGBXAGGSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
CID 11775681
(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
CID 10353943
(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one
CID 10467157
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
4-(1,2-diphenylethyl)-3-phenylmethoxyazetidin-2-one
CID 56983411
(3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(3-phenylpropyl)piperidin-2-one
CID 137394852
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
5-tert-butyl-2-phenylmethoxypiperidine
CID 167076549
(3S)-3-phenylmethoxyazetidin-2-one
CID 10773649
(3S,4R)-1-benzyl-4-(1-bromo-2-methylpropan-2-yl)-3-phenylmethoxyazetidin-2-one
CID 102175178
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one (CID 20735664) is (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one is CC(C)(C)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one?
The InChIKey is DOSNCPUYQQPTLT-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)12-11(13(16)15-12)17-9-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 20735664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).