methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate

C25H33NO5Si — CID 101189039

IUPACmethyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](OC)[C@H]1[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO5Si/c1-18(22-23(30-6)24(28)26(22)17-21(27)29-5)31-32(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,22-23H,17H2,1-6H3/t18-,22+,23-/m0/s1
InChIKeyVLDMDQYKIOWJNI-NMNUPHIUSA-N
MW455.63 g/mol
LogP2.35
Rot. Bonds8

About methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate

methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate (PubChem CID 101189039) has the molecular formula C25H33NO5Si and a molecular weight of 455.63 g/mol. Its IUPAC name is methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate
PubChem CID101189039
Molecular FormulaC25H33NO5Si
Molecular Weight455.63 g/mol
Exact Mass455.21
IUPAC Namemethyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](OC)[C@H]1[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO5Si/c1-18(22-23(30-6)24(28)26(22)17-21(27)29-5)31-32(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,22-23H,17H2,1-6H3/t18-,22+,23-/m0/s1
InChIKeyVLDMDQYKIOWJNI-NMNUPHIUSA-N
XLogP2.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(1-phenyl-1-sulfanylidenepropan-2-yl)azetidin-1-yl]acetate
CID 76501200
(2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methoxy-2-oxoethyl)-4-oxoazetidin-2-yl]propanoic acid
CID 70356135
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
CID 11517701
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-[chloro(methyl)phosphoryl]butanoate
CID 14750058
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 123743890

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate (CID 101189039) is methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate is COC(=O)CN1C(=O)[C@@H](OC)[C@H]1[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate?
The InChIKey is VLDMDQYKIOWJNI-NMNUPHIUSA-N. The full InChI is InChI=1S/C25H33NO5Si/c1-18(22-23(30-6)24(28)26(22)17-21(27)29-5)31-32(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,22-23H,17H2,1-6H3/t18-,22+,23-/m0/s1.
What are the key properties of methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate?
methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate has a molecular weight of 455.63 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 101189039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).