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

C10H18ClNO3 — CID 25228110

IUPAC(3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N(CCCO)[C@@H]1C(C)(C)Cl
InChIInChI=1S/C10H18ClNO3/c1-10(2,11)8-7(15-3)9(14)12(8)5-4-6-13/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyGVGISZKQUBWDFD-YUMQZZPRSA-N
MW235.71 g/mol
LogP0.61
Rot. Bonds5

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

(3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one (PubChem CID 25228110) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one
PubChem CID25228110
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name(3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N(CCCO)[C@@H]1C(C)(C)Cl
InChIInChI=1S/C10H18ClNO3/c1-10(2,11)8-7(15-3)9(14)12(8)5-4-6-13/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyGVGISZKQUBWDFD-YUMQZZPRSA-N
XLogP0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one?
The IUPAC name of (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one (CID 25228110) is (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one is CO[C@@H]1C(=O)N(CCCO)[C@@H]1C(C)(C)Cl.
What is the InChIKey of (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one?
The InChIKey is GVGISZKQUBWDFD-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18ClNO3/c1-10(2,11)8-7(15-3)9(14)12(8)5-4-6-13/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one?
(3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one has a molecular weight of 235.71 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one is sourced from PubChem (CID 25228110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).