(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one

C10H17Br2NO2 — CID 11348465

IUPAC(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N(CCBr)[C@@H]1C(C)(C)CBr
InChIInChI=1S/C10H17Br2NO2/c1-10(2,6-12)8-7(15-3)9(14)13(8)5-4-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyKATANUIHJZZJHH-YUMQZZPRSA-N
MW343.06 g/mol
LogP2.03
Rot. Bonds5

About (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one

(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one (PubChem CID 11348465) has the molecular formula C10H17Br2NO2 and a molecular weight of 343.06 g/mol. Its IUPAC name is (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one
PubChem CID11348465
Molecular FormulaC10H17Br2NO2
Molecular Weight343.06 g/mol
Exact Mass340.96
IUPAC Name(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one
SMILESCO[C@@H]1C(=O)N(CCBr)[C@@H]1C(C)(C)CBr
InChIInChI=1S/C10H17Br2NO2/c1-10(2,6-12)8-7(15-3)9(14)13(8)5-4-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyKATANUIHJZZJHH-YUMQZZPRSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-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,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one?
The IUPAC name of (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one (CID 11348465) is (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one?
The canonical SMILES for (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one is CO[C@@H]1C(=O)N(CCBr)[C@@H]1C(C)(C)CBr.
What is the InChIKey of (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one?
The InChIKey is KATANUIHJZZJHH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17Br2NO2/c1-10(2,6-12)8-7(15-3)9(14)13(8)5-4-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one?
(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one has a molecular weight of 343.06 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one is sourced from PubChem (CID 11348465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).