(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal

C20H41NO3Si2 — CID 11069396

IUPAC(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
SMILESC[C@@H](C=O)[C@@H]1[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41NO3Si2/c1-14(13-22)17-16(15(2)24-26(11,12)20(6,7)8)18(23)21(17)25(9,10)19(3,4)5/h13-17H,1-12H3/t14-,15+,16-,17+/m0/s1
InChIKeyKYODVYXAEDTXOG-VVLHAWIVSA-N
MW399.72 g/mol
LogP5.06
Rot. Bonds6

About (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal

(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal (PubChem CID 11069396) has the molecular formula C20H41NO3Si2 and a molecular weight of 399.72 g/mol. Its IUPAC name is (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
PubChem CID11069396
Molecular FormulaC20H41NO3Si2
Molecular Weight399.72 g/mol
Exact Mass399.26
IUPAC Name(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
SMILESC[C@@H](C=O)[C@@H]1[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41NO3Si2/c1-14(13-22)17-16(15(2)24-26(11,12)20(6,7)8)18(23)21(17)25(9,10)19(3,4)5/h13-17H,1-12H3/t14-,15+,16-,17+/m0/s1
InChIKeyKYODVYXAEDTXOG-VVLHAWIVSA-N
XLogP5.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.72
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 10938209
1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
CID 58434553
(4-nitrophenyl)methyl 4-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 57282690
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one
CID 67784044
(2R)-2-[(2R,3S)-3-[(1R)-1-methoxyethyl]-1-methyl-4-oxoazetidin-2-yl]propanal
CID 15867591
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572
4-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-hydroxy-2-[(4-nitrophenyl)methyl]butanoic acid
CID 70527695
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
(2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methoxy-2-oxoethyl)-4-oxoazetidin-2-yl]propanoic acid
CID 70356135
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tert-butylsulfonylazetidin-2-one
CID 67931664
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(5R,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 177385780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
The IUPAC name of (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal (CID 11069396) is (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal is C[C@@H](C=O)[C@@H]1[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
The InChIKey is KYODVYXAEDTXOG-VVLHAWIVSA-N. The full InChI is InChI=1S/C20H41NO3Si2/c1-14(13-22)17-16(15(2)24-26(11,12)20(6,7)8)18(23)21(17)25(9,10)19(3,4)5/h13-17H,1-12H3/t14-,15+,16-,17+/m0/s1.
What are the key properties of (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal?
(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal has a molecular weight of 399.72 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal is sourced from PubChem (CID 11069396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).