[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate

C26H35NO4Si — CID 134835198

IUPAC[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO4Si/c1-18(31-32(6,7)26(3,4)5)22-24(29)27(25(22)30-19(2)28)23(20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22-23,25H,1-7H3/t18-,22+,25-/m1/s1
InChIKeySPLLNXDQIXYXSU-WSUBETFTSA-N
MW453.66 g/mol
LogP5.53
Rot. Bonds7

About [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate

[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 134835198) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
PubChem CID134835198
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Name[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO4Si/c1-18(31-32(6,7)26(3,4)5)22-24(29)27(25(22)30-19(2)28)23(20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22-23,25H,1-7H3/t18-,22+,25-/m1/s1
InChIKeySPLLNXDQIXYXSU-WSUBETFTSA-N
XLogP5.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.66
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate with MolForge

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Related Compounds

(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
tert-butyl N-benzyl-N-[(E,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-4-(triethylsilyloxymethyl)hex-1-en-3-yl]carbamate
CID 15743156
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 15352612
(3S,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenylazetidin-2-one
CID 15867560
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 15895934
[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate
CID 53391770
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 102015000
cyclohexyl (3S,4R)-1-benzyl-2-oxo-4-prop-1-en-2-ylazetidine-3-carboxylate
CID 15358908
(E)-(2R,3S)-2-((1'S)-1'-Tert-butyldimethylsiloxyethyl)-3-(N-benzyl-tert-butyloxycarbonylamino)-5-phenyl-4-pentenoic acid
CID 134747923
(E)-(2R,3S)-2-((1'S)-1'-Tert-butyldimethylsiloxyethyl)-3-(N-benzyl-tert-butyloxycabonylamino)-5-phenyl-4-pentenal
CID 134774958
tert-butyl (2S,3R,4R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentanoate
CID 10055236
1-benzyl-4(S)-ethynyl-3(S)-[1(R)-t-butyldimethysilyloxyethyl]-2-azetidinone
CID 13959567

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate (CID 134835198) is [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is SPLLNXDQIXYXSU-WSUBETFTSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-18(31-32(6,7)26(3,4)5)22-24(29)27(25(22)30-19(2)28)23(20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22-23,25H,1-7H3/t18-,22+,25-/m1/s1.
What are the key properties of [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate?
[(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 453.66 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-benzhydryl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 134835198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).