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

C7H13NO2 — CID 11228860

IUPAC(3R,4S)-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-/m1/s1
InChIKeyQCVGXRNPTAAALF-RFZPGFLSSA-N
MW143.19 g/mol
LogP-0.11
Rot. Bonds

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

(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one (PubChem CID 11228860) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
PubChem CID11228860
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R,4S)-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-/m1/s1
InChIKeyQCVGXRNPTAAALF-RFZPGFLSSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one (CID 11228860) is (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one is CC(C)(C)[C@@H]1NC(=O)[C@@H]1O.
What is the InChIKey of (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one?
The InChIKey is QCVGXRNPTAAALF-RFZPGFLSSA-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-/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one?
(3R,4S)-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 (3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 11228860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).