(3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one

C18H29NO2Si — CID 10936090

IUPAC(3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2Si/c1-12(2)22(13(3)4,14(5)6)21-17-16(19-18(17)20)15-10-8-7-9-11-15/h7-14,16-17H,1-6H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyUAXZZNDXCXGKHN-DLBZAZTESA-N
MW319.52 g/mol
LogP4.42
Rot. Bonds6

About (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 10936090) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID10936090
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2Si/c1-12(2)22(13(3)4,14(5)6)21-17-16(19-18(17)20)15-10-8-7-9-11-15/h7-14,16-17H,1-6H3,(H,19,20)/t16-,17+/m0/s1
InChIKeyUAXZZNDXCXGKHN-DLBZAZTESA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone
CID 10219589
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028
(2S,3R)-3-amino-3-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44382789
N-[(1R)-2-hydroxy-1-phenylethyl]octanamide
CID 44382914
3-(Acetyloxy)-4-phenyl-2-azetidinone
CID 9794260
(3R-cis)-3-(acetyloxy)-4-phenyl-2-azetidinone
CID 10198157
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone
CID 10500068
(3S,4R)-2-Oxo-4-phenylazetidin-3-yl acetate
CID 11009062
(3R,4S)-tert-Butyl 2-oxo-4-phenyl-3-(triethylsilyloxy)azetidine-1-carboxylate
CID 15428307
(3R,4S)-3-methoxy-4-phenylazetidin-2-one
CID 42639931
Cis-3-hydroxy-4-phenylazetidin-2-one
CID 10219588

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 10936090) is (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@H]1C(=O)N[C@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is UAXZZNDXCXGKHN-DLBZAZTESA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-12(2)22(13(3)4,14(5)6)21-17-16(19-18(17)20)15-10-8-7-9-11-15/h7-14,16-17H,1-6H3,(H,19,20)/t16-,17+/m0/s1.
What are the key properties of (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 319.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 10936090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).