benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate

C27H43NO6Si — CID 10255617

IUPACbenzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]1[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C27H43NO6Si/c1-18(25(31)32-17-20-14-12-11-13-15-20)23-22(19(2)34-35(9,10)27(6,7)8)24(30)28(23)16-21(29)33-26(3,4)5/h11-15,18-19,22-23H,16-17H2,1-10H3/t18-,19-,22-,23-/m1/s1
InChIKeyHIBZIRSZZSTZJB-DAVBRLECSA-N
MW505.73 g/mol
LogP4.94
Rot. Bonds9

About benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate

benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate (PubChem CID 10255617) has the molecular formula C27H43NO6Si and a molecular weight of 505.73 g/mol. Its IUPAC name is benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate
PubChem CID10255617
Molecular FormulaC27H43NO6Si
Molecular Weight505.73 g/mol
Exact Mass505.29
IUPAC Namebenzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]1[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C27H43NO6Si/c1-18(25(31)32-17-20-14-12-11-13-15-20)23-22(19(2)34-35(9,10)27(6,7)8)24(30)28(23)16-21(29)33-26(3,4)5/h11-15,18-19,22-23H,16-17H2,1-10H3/t18-,19-,22-,23-/m1/s1
InChIKeyHIBZIRSZZSTZJB-DAVBRLECSA-N
XLogP4.94
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.73
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate?
The IUPAC name of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate (CID 10255617) is benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate.
What is the SMILES notation for benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate?
The canonical SMILES for benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]1[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate?
The InChIKey is HIBZIRSZZSTZJB-DAVBRLECSA-N. The full InChI is InChI=1S/C27H43NO6Si/c1-18(25(31)32-17-20-14-12-11-13-15-20)23-22(19(2)34-35(9,10)27(6,7)8)24(30)28(23)16-21(29)33-26(3,4)5/h11-15,18-19,22-23H,16-17H2,1-10H3/t18-,19-,22-,23-/m1/s1.
What are the key properties of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate?
benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate has a molecular weight of 505.73 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate is sourced from PubChem (CID 10255617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).