benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate

C20H29NO3Si — CID 70489460

IUPACbenzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1C/C=C/C(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO3Si/c1-20(2,3)25(4,5)21-17(14-18(21)22)12-9-13-19(23)24-15-16-10-7-6-8-11-16/h6-11,13,17H,12,14-15H2,1-5H3/b13-9+/t17-/m1/s1
InChIKeyHZSIYEKSTBCSIM-JZUUQJBKSA-N
MW359.54 g/mol
LogP4.28
Rot. Bonds6

About benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate

benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate (PubChem CID 70489460) has the molecular formula C20H29NO3Si and a molecular weight of 359.54 g/mol. Its IUPAC name is benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate.

Molecular Properties

Compound Namebenzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate
PubChem CID70489460
Molecular FormulaC20H29NO3Si
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC Namebenzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1C/C=C/C(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO3Si/c1-20(2,3)25(4,5)21-17(14-18(21)22)12-9-13-19(23)24-15-16-10-7-6-8-11-16/h6-11,13,17H,12,14-15H2,1-5H3/b13-9+/t17-/m1/s1
InChIKeyHZSIYEKSTBCSIM-JZUUQJBKSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate
CID 12804719
N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
CID 127030399
benzyl (1S,4Z,5R)-6-[tert-butyl(dimethyl)silyl]-4-(2-methoxy-2-oxoethylidene)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70018383
benzyl hex-2-enoate
CID 3828590
benzyl (E)-4,4-dimethyl-5-oxo-5-phenylpent-2-enoate
CID 102073320
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572
benzyl (E)-but-2-enoate
CID 5356259
benzyl 2-[(3S)-2-[tert-butyl(dimethyl)silyl]-1,1-dioxothiazetidin-3-yl]acetate
CID 12992568
benzyl (E)-3-aminoprop-2-enoate
CID 12649137
benzyl (E)-4-(1-hydroxycyclopropyl)but-2-enoate
CID 134963166
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl (E)-4-[2-(trifluoromethyl)phenyl]but-2-enoate
CID 168869791

Frequently Asked Questions

What is the IUPAC name of benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate?
The IUPAC name of benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate (CID 70489460) is benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate.
What is the SMILES notation for benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate?
The canonical SMILES for benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate is CC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1C/C=C/C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate?
The InChIKey is HZSIYEKSTBCSIM-JZUUQJBKSA-N. The full InChI is InChI=1S/C20H29NO3Si/c1-20(2,3)25(4,5)21-17(14-18(21)22)12-9-13-19(23)24-15-16-10-7-6-8-11-16/h6-11,13,17H,12,14-15H2,1-5H3/b13-9+/t17-/m1/s1.
What are the key properties of benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate?
benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate has a molecular weight of 359.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate is sourced from PubChem (CID 70489460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).