(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde

C19H29NO4Si — CID 11581342

IUPAC(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
SMILESCO[C@H]1C(=O)N(Cc2ccccc2)[C@H]1[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO4Si/c1-19(2,3)25(5,6)24-15(13-21)16-17(23-4)18(22)20(16)12-14-10-8-7-9-11-14/h7-11,13,15-17H,12H2,1-6H3/t15-,16+,17-/m1/s1
InChIKeyZUCZEFXKQNFLHT-IXDOHACOSA-N
MW363.53 g/mol
LogP3.00
Rot. Bonds7

About (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde

(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde (PubChem CID 11581342) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
PubChem CID11581342
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Name(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
SMILESCO[C@H]1C(=O)N(Cc2ccccc2)[C@H]1[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO4Si/c1-19(2,3)25(5,6)24-15(13-21)16-17(23-4)18(22)20(16)12-14-10-8-7-9-11-14/h7-11,13,15-17H,12H2,1-6H3/t15-,16+,17-/m1/s1
InChIKeyZUCZEFXKQNFLHT-IXDOHACOSA-N
XLogP3.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 102014999
(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde
CID 135012518
(4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
CID 135070162
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 135070646
(3R,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 11371029
1-Benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
CID 23243960
(3R,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 23243961
4-Benzyl-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-methylmorpholin-3-one
CID 131747379
4-Benzyl-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-(2-hydroxypropyl)-2-methylmorpholin-3-one
CID 131747385
(5R)-4-Benzyl-5-[(1R)-1-{[tert-butyl(dimethyl)silyl]oxy}ethyl]-2-methylmorpholin-3-one
CID 131747392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
The IUPAC name of (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde (CID 11581342) is (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde.
What is the SMILES notation for (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
The canonical SMILES for (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde is CO[C@H]1C(=O)N(Cc2ccccc2)[C@H]1[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
The InChIKey is ZUCZEFXKQNFLHT-IXDOHACOSA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-19(2,3)25(5,6)24-15(13-21)16-17(23-4)18(22)20(16)12-14-10-8-7-9-11-14/h7-11,13,15-17H,12H2,1-6H3/t15-,16+,17-/m1/s1.
What are the key properties of (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde has a molecular weight of 363.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde is sourced from PubChem (CID 11581342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).