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

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

[3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate (PubChem CID 69411563) has the molecular formula C25H40N2O5Si and a molecular weight of 476.69 g/mol. Its IUPAC name is [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name	[3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate
PubChem CID	69411563
Molecular Formula	C25H40N2O5Si
Molecular Weight	476.69 g/mol
Exact Mass	476.27
IUPAC Name	[3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate
SMILES	C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(COC(=O)NC(C)(C)C)c1
InChI	InChI=1S/C25H40N2O5Si/c1-16(32-33(8,9)25(5,6)7)21-19(26-22(21)29)14-20(28)18-12-10-11-17(13-18)15-31-23(30)27-24(2,3)4/h10-13,16,19,21H,14-15H2,1-9H3,(H,26,29)(H,27,30)/t16-,19-,21-/m1/s1
InChIKey	PZWPHAIPWIRWLS-OZOXKJRCSA-N
XLogP	4.81
TPSA	93.73 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.69
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate?

The IUPAC name of [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate (CID 69411563) is [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate.

What is the SMILES notation for [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate?

The canonical SMILES for [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1cccc(COC(=O)NC(C)(C)C)c1.

What is the InChIKey of [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate?

The InChIKey is PZWPHAIPWIRWLS-OZOXKJRCSA-N. The full InChI is InChI=1S/C25H40N2O5Si/c1-16(32-33(8,9)25(5,6)7)21-19(26-22(21)29)14-20(28)18-12-10-11-17(13-18)15-31-23(30)27-24(2,3)4/h10-13,16,19,21H,14-15H2,1-9H3,(H,26,29)(H,27,30)/t16-,19-,21-/m1/s1.

What are the key properties of [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate?

[3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate has a molecular weight of 476.69 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 69411563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).