(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one

C22H43NO5Si2 — CID 67784044

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1OCC[C@@H](O)C1=O
InChIInChI=1S/C22H43NO5Si2/c1-14(28-30(10,11)22(5,6)7)16-17(19-18(25)15(24)12-13-27-19)23(20(16)26)29(8,9)21(2,3)4/h14-17,19,24H,12-13H2,1-11H3/t14-,15-,16-,17+,19-/m1/s1
InChIKeyWHNQJTQGSPHOGL-ZQOJQMTGSA-N
MW457.76 g/mol
LogP3.95
Rot. Bonds5

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one (PubChem CID 67784044) has the molecular formula C22H43NO5Si2 and a molecular weight of 457.76 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one
PubChem CID67784044
Molecular FormulaC22H43NO5Si2
Molecular Weight457.76 g/mol
Exact Mass457.27
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1OCC[C@@H](O)C1=O
InChIInChI=1S/C22H43NO5Si2/c1-14(28-30(10,11)22(5,6)7)16-17(19-18(25)15(24)12-13-27-19)23(20(16)26)29(8,9)21(2,3)4/h14-17,19,24H,12-13H2,1-11H3/t14-,15-,16-,17+,19-/m1/s1
InChIKeyWHNQJTQGSPHOGL-ZQOJQMTGSA-N
XLogP3.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-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

(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 11069396
(2R)-2-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 10938209
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
methyl (4S,5R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70356134
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
CID 58434553
(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-9-hydroxy-6,6-dimethyl-7-oxa-5-azatricyclo[6.4.0.02,5]dodecan-4-one
CID 10548021
6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 67908531
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572
(4-tert-butylphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-4-oxoazetidin-1-yl]-2-oxoacetate
CID 57370265
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
(4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 22851424

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one (CID 67784044) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1OCC[C@@H](O)C1=O.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one?
The InChIKey is WHNQJTQGSPHOGL-ZQOJQMTGSA-N. The full InChI is InChI=1S/C22H43NO5Si2/c1-14(28-30(10,11)22(5,6)7)16-17(19-18(25)15(24)12-13-27-19)23(20(16)26)29(8,9)21(2,3)4/h14-17,19,24H,12-13H2,1-11H3/t14-,15-,16-,17+,19-/m1/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one has a molecular weight of 457.76 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R,4R)-4-hydroxy-3-oxooxan-2-yl]azetidin-2-one is sourced from PubChem (CID 67784044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).