(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one

C11H21NO2 — CID 166438197

IUPAC(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[C@H]1[C@@H](O)C(=O)N1C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-10(2,3)8-7(13)9(14)12(8)11(4,5)6/h7-8,13H,1-6H3/t7-,8-/m1/s1
InChIKeyKSBXLZWJRLVHIZ-HTQZYQBOSA-N
MW199.29 g/mol
LogP1.40
Rot. Bonds

About (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one

(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one (PubChem CID 166438197) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
PubChem CID166438197
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[C@H]1[C@@H](O)C(=O)N1C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-10(2,3)8-7(13)9(14)12(8)11(4,5)6/h7-8,13H,1-6H3/t7-,8-/m1/s1
InChIKeyKSBXLZWJRLVHIZ-HTQZYQBOSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166436788
(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one
CID 166439192
(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166439550
(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11228860
(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11446396
4-Tert-butyl-3-hydroxyazetidin-2-one
CID 22382229
(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one
CID 22975023
(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
CID 22975031
1-(3-Hydroxy-2-methylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 156029966
1-(Azetidin-1-yl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 18625547
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one
CID 46186032
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one
CID 102166145

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one (CID 166438197) is (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one is CC(C)(C)[C@H]1[C@@H](O)C(=O)N1C(C)(C)C.
What is the InChIKey of (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one?
The InChIKey is KSBXLZWJRLVHIZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)8-7(13)9(14)12(8)11(4,5)6/h7-8,13H,1-6H3/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one?
(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 166438197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).