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

C7H13NO2 — CID 11446396

IUPAC(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[C@H]1NC(=O)[C@H]1O
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4(9)6(10)8-5/h4-5,9H,1-3H3,(H,8,10)/t4-,5-/m0/s1
InChIKeyQCVGXRNPTAAALF-WHFBIAKZSA-N
MW143.19 g/mol
LogP-0.11
Rot. Bonds

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

(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one (PubChem CID 11446396) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
PubChem CID11446396
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[C@H]1NC(=O)[C@H]1O
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4(9)6(10)8-5/h4-5,9H,1-3H3,(H,8,10)/t4-,5-/m0/s1
InChIKeyQCVGXRNPTAAALF-WHFBIAKZSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
CID 57784953
4-(1,1-Difluoroethyl)-3-hydroxy-azetidin-2-one
CID 68940200
cis-4-(1,1-Difluoroethyl)-3-hydroxy-2-azetidinone
CID 68940202
(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
CID 166438197
(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
CID 10012015
(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11228860
(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 20735660
(3S)-3-amino-N-(2,2-dimethylpropyl)-2-hydroxy-4-methylpentanamide
CID 21971159
4-Tert-butyl-3-hydroxyazetidin-2-one
CID 22382229
(3R,4S)-4-Ethyl-3-hydroxy-2-azetidinone
CID 57785051
(3S,4R)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 69894319
4-(1-Hydroxyethyl)azetidin-2-one
CID 70498789

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one (CID 11446396) is (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one is CC(C)(C)[C@H]1NC(=O)[C@H]1O.
What is the InChIKey of (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one?
The InChIKey is QCVGXRNPTAAALF-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)5-4(9)6(10)8-5/h4-5,9H,1-3H3,(H,8,10)/t4-,5-/m0/s1.
What are the key properties of (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one?
(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 11446396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).