(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one

C23H37NO4Si — CID 140611234

IUPAC(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
SMILESCC1(C)OC[C@H]([C@H]2[C@@H](OCc3ccccc3)C(=O)N2CC[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)29(6,7)14-13-24-19(18-16-27-23(4,5)28-18)20(21(24)25)26-15-17-11-9-8-10-12-17/h8-12,18-20H,13-16H2,1-7H3/t18-,19+,20-/m1/s1
InChIKeyUJXYQAPEVIDMHK-HSALFYBXSA-N
MW419.64 g/mol
LogP4.44
Rot. Bonds7

About (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one

(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one (PubChem CID 140611234) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
PubChem CID140611234
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Name(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
SMILESCC1(C)OC[C@H]([C@H]2[C@@H](OCc3ccccc3)C(=O)N2CC[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)29(6,7)14-13-24-19(18-16-27-23(4,5)28-18)20(21(24)25)26-15-17-11-9-8-10-12-17/h8-12,18-20H,13-16H2,1-7H3/t18-,19+,20-/m1/s1
InChIKeyUJXYQAPEVIDMHK-HSALFYBXSA-N
XLogP4.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one 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

(3R,4S)-4-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-3-[(1R)-1-fluoroethyl]-1-[methoxy(phenyl)methyl]azetidin-2-one
CID 67834540
(4S,5R)-5-[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10430796
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 23634960
(1S,2S,3R,8S)-3-methoxy-8-phenyl-9,11-dioxa-5-azatricyclo[6.2.1.02,5]undecan-4-one
CID 102308769
benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethoxy-2-oxoethoxy)methyl]pyrrolidine-1-carboxylate
CID 53931811
(3S,4S)-3-acetyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[methoxy(phenyl)methyl]azetidin-2-one
CID 67835698
(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylmethoxyazetidin-2-one
CID 123307028
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-4-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-3-[(1S)-1-hydroxyethyl]azetidin-2-one
CID 139603457
(3aR,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(6-phenylmethoxyhexyl)-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-4-one
CID 163263359
1-(5-tert-butyl-1,2,4,3-trioxazolidin-3-yl)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
CID 9978796
(3S,4R)-1-benzyl-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
CID 10050235
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one
CID 10107549

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one (CID 140611234) is (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one is CC1(C)OC[C@H]([C@H]2[C@@H](OCc3ccccc3)C(=O)N2CC[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is UJXYQAPEVIDMHK-HSALFYBXSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-22(2,3)29(6,7)14-13-24-19(18-16-27-23(4,5)28-18)20(21(24)25)26-15-17-11-9-8-10-12-17/h8-12,18-20H,13-16H2,1-7H3/t18-,19+,20-/m1/s1.
What are the key properties of (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one?
(3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 419.64 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[2-[tert-butyl(dimethyl)silyl]ethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 140611234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).