(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one

C23H31NO3Si — CID 10992980

IUPAC(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](c1ccccc1)[C@H]1[C@@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)27-21(18-14-10-7-11-15-18)19-20(25)22(26)24(19)16-17-12-8-6-9-13-17/h6-15,19-21,25H,16H2,1-5H3/t19-,20-,21-/m1/s1
InChIKeyYEZOVALUMDTXFQ-NJDAHSKKSA-N
MW397.59 g/mol
LogP4.52
Rot. Bonds6

About (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one

(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one (PubChem CID 10992980) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
PubChem CID10992980
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Name(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](c1ccccc1)[C@H]1[C@@H](O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)27-21(18-14-10-7-11-15-18)19-20(25)22(26)24(19)16-17-12-8-6-9-13-17/h6-15,19-21,25H,16H2,1-5H3/t19-,20-,21-/m1/s1
InChIKeyYEZOVALUMDTXFQ-NJDAHSKKSA-N
XLogP4.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 11826773
(2R,3S,6R,7S)-4-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-2-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-5,8-dione
CID 101423722
methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
CID 11517701
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10552752
(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-phenylmethoxyazetidin-2-one
CID 139676948
(1R,4S,5S,6S)-2-benzyl-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-azabicyclo[2.2.1]heptan-3-one
CID 11719572
tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
CID 11078347
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081
(3R,4R)-1-benzyl-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-phenylmethoxyazetidin-2-one
CID 10553776
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one (CID 10992980) is (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one is CC(C)(C)[Si](C)(C)O[C@H](c1ccccc1)[C@H]1[C@@H](O)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one?
The InChIKey is YEZOVALUMDTXFQ-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)27-21(18-14-10-7-11-15-18)19-20(25)22(26)24(19)16-17-12-8-6-9-13-17/h6-15,19-21,25H,16H2,1-5H3/t19-,20-,21-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one?
(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one has a molecular weight of 397.59 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one is sourced from PubChem (CID 10992980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).