(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one

C11H20ClNO2 — CID 11644340

IUPAC(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N(C(C)(C)C)[C@@H]1C(C)(C)Cl
InChIInChI=1S/C11H20ClNO2/c1-10(2,3)13-8(11(4,5)12)7(15-6)9(13)14/h7-8H,1-6H3/t7-,8-/m0/s1
InChIKeyYSGWSDNTLFHWJY-YUMQZZPRSA-N
MW233.74 g/mol
LogP2.03
Rot. Bonds2

About (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one

(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one (PubChem CID 11644340) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one
PubChem CID11644340
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N(C(C)(C)C)[C@@H]1C(C)(C)Cl
InChIInChI=1S/C11H20ClNO2/c1-10(2,3)13-8(11(4,5)12)7(15-6)9(13)14/h7-8H,1-6H3/t7-,8-/m0/s1
InChIKeyYSGWSDNTLFHWJY-YUMQZZPRSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one?
The IUPAC name of (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one (CID 11644340) is (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one?
The canonical SMILES for (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one is CO[C@@H]1C(=O)N(C(C)(C)C)[C@@H]1C(C)(C)Cl.
What is the InChIKey of (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one?
The InChIKey is YSGWSDNTLFHWJY-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-10(2,3)13-8(11(4,5)12)7(15-6)9(13)14/h7-8H,1-6H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one?
(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one has a molecular weight of 233.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one is sourced from PubChem (CID 11644340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).