(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one

C10H18BrNO2 — CID 46186032

IUPAC(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one
SMILESCC(C)N1C(=O)[C@@H](O)[C@H]1C(C)(C)CBr
InChIInChI=1S/C10H18BrNO2/c1-6(2)12-8(7(13)9(12)14)10(3,4)5-11/h6-8,13H,5H2,1-4H3/t7-,8-/m0/s1
InChIKeyGVEMBPIKPISULZ-YUMQZZPRSA-N
MW264.16 g/mol
LogP1.39
Rot. Bonds3

About (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one

(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one (PubChem CID 46186032) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one
PubChem CID46186032
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one
SMILESCC(C)N1C(=O)[C@@H](O)[C@H]1C(C)(C)CBr
InChIInChI=1S/C10H18BrNO2/c1-6(2)12-8(7(13)9(12)14)10(3,4)5-11/h6-8,13H,5H2,1-4H3/t7-,8-/m0/s1
InChIKeyGVEMBPIKPISULZ-YUMQZZPRSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
CID 166438197
(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one
CID 166439192
(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166439550
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxy-1-propan-2-ylazetidin-2-one
CID 11219663
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one
CID 11289327
(3S,4R)-1-(2-bromoethyl)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxyazetidin-2-one
CID 11348465
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-1-ethyl-3-methoxyazetidin-2-one
CID 11380041
(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
CID 22975031
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one
CID 102166145

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one?
The IUPAC name of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one (CID 46186032) is (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one is CC(C)N1C(=O)[C@@H](O)[C@H]1C(C)(C)CBr.
What is the InChIKey of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one?
The InChIKey is GVEMBPIKPISULZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-6(2)12-8(7(13)9(12)14)10(3,4)5-11/h6-8,13H,5H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one?
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one has a molecular weight of 264.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 46186032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).