ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate

C19H21NO3Si — CID 154260649

IUPACethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N1[SiH2]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3Si/c1-2-23-19(22)16-13-17(21)20(16)24-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13,24H2,1H3/t16-/m0/s1
InChIKeyTZXJDPSNXYKZIM-INIZCTEOSA-N
MW339.47 g/mol
LogP2.02
Rot. Bonds6

About ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate

ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate (PubChem CID 154260649) has the molecular formula C19H21NO3Si and a molecular weight of 339.47 g/mol. Its IUPAC name is ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate
PubChem CID154260649
Molecular FormulaC19H21NO3Si
Molecular Weight339.47 g/mol
Exact Mass339.13
IUPAC Nameethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)N1[SiH2]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3Si/c1-2-23-19(22)16-13-17(21)20(16)24-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13,24H2,1H3/t16-/m0/s1
InChIKeyTZXJDPSNXYKZIM-INIZCTEOSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate 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

diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
CID 71328527
ethyl (2S)-4-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate
CID 15697766
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
ethyl (2S,5R,6S)-1-benzhydryl-5-hydroxy-6-methylpiperidine-2-carboxylate
CID 15552371
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
CID 58819942
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
ethyl 1-(2-cyano-2-phenylethyl)pyrrolidine-2-carboxylate
CID 64536050
1-O-tert-butyl 2-O-ethyl (2R)-4-phenylsulfanylpyrrolidine-1,2-dicarboxylate
CID 88936156
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate (CID 154260649) is ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate is CCOC(=O)[C@@H]1CC(=O)N1[SiH2]C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate?
The InChIKey is TZXJDPSNXYKZIM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO3Si/c1-2-23-19(22)16-13-17(21)20(16)24-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13,24H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate?
ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate has a molecular weight of 339.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 154260649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).