(3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one

C16H32BrNO2Si — CID 101045011

IUPAC(3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one
SMILESCC(C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1NC(=O)[C@@H]1Br
InChIInChI=1S/C16H32BrNO2Si/c1-9(2)15(14-13(17)16(19)18-14)20-21(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,18,19)/t13-,14+,15+/m1/s1
InChIKeyCUCIOYRODBLCLZ-ILXRZTDVSA-N
MW378.43 g/mol
LogP4.47
Rot. Bonds7

About (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one

(3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one (PubChem CID 101045011) has the molecular formula C16H32BrNO2Si and a molecular weight of 378.43 g/mol. Its IUPAC name is (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one
PubChem CID101045011
Molecular FormulaC16H32BrNO2Si
Molecular Weight378.43 g/mol
Exact Mass377.14
IUPAC Name(3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one
SMILESCC(C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1NC(=O)[C@@H]1Br
InChIInChI=1S/C16H32BrNO2Si/c1-9(2)15(14-13(17)16(19)18-14)20-21(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,18,19)/t13-,14+,15+/m1/s1
InChIKeyCUCIOYRODBLCLZ-ILXRZTDVSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
The IUPAC name of (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one (CID 101045011) is (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
The canonical SMILES for (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one is CC(C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1NC(=O)[C@@H]1Br.
What is the InChIKey of (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
The InChIKey is CUCIOYRODBLCLZ-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H32BrNO2Si/c1-9(2)15(14-13(17)16(19)18-14)20-21(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,18,19)/t13-,14+,15+/m1/s1.
What are the key properties of (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
(3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-bromo-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one is sourced from PubChem (CID 101045011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).