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

C24H37NO5Si — CID 11640909

IUPACtert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H37NO5Si/c1-15(30-31(8,9)24(5,6)7)20-18(25-21(20)27)14-19(26)16-11-10-12-17(13-16)22(28)29-23(2,3)4/h10-13,15,18,20H,14H2,1-9H3,(H,25,27)/t15-,18-,20-/m1/s1
InChIKeyWYIUSLTVUDFVLB-XFQXTVEOSA-N
MW447.65 g/mol
LogP4.74
Rot. Bonds7

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

tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate (PubChem CID 11640909) has the molecular formula C24H37NO5Si and a molecular weight of 447.65 g/mol. Its IUPAC name is tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate
PubChem CID11640909
Molecular FormulaC24H37NO5Si
Molecular Weight447.65 g/mol
Exact Mass447.24
IUPAC Nametert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H37NO5Si/c1-15(30-31(8,9)24(5,6)7)20-18(25-21(20)27)14-19(26)16-11-10-12-17(13-16)22(28)29-23(2,3)4/h10-13,15,18,20H,14H2,1-9H3,(H,25,27)/t15-,18-,20-/m1/s1
InChIKeyWYIUSLTVUDFVLB-XFQXTVEOSA-N
XLogP4.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate?
The IUPAC name of tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate (CID 11640909) is tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate.
What is the SMILES notation for tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate?
The canonical SMILES for tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate?
The InChIKey is WYIUSLTVUDFVLB-XFQXTVEOSA-N. The full InChI is InChI=1S/C24H37NO5Si/c1-15(30-31(8,9)24(5,6)7)20-18(25-21(20)27)14-19(26)16-11-10-12-17(13-16)22(28)29-23(2,3)4/h10-13,15,18,20H,14H2,1-9H3,(H,25,27)/t15-,18-,20-/m1/s1.
What are the key properties of tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate?
tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate has a molecular weight of 447.65 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate is sourced from PubChem (CID 11640909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).