tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate

C18H33NO6Si — CID 11372630

IUPACtert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
SMILESCC(=O)O[C@@H]1[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO6Si/c1-11(25-26(9,10)18(6,7)8)13-14(21)19(15(13)23-12(2)20)16(22)24-17(3,4)5/h11,13,15H,1-10H3/t11-,13-,15+/m0/s1
InChIKeyJCKNYUWFILSIDC-CORIIIEPSA-N
MW387.55 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate

tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate (PubChem CID 11372630) has the molecular formula C18H33NO6Si and a molecular weight of 387.55 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
PubChem CID11372630
Molecular FormulaC18H33NO6Si
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Nametert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
SMILESCC(=O)O[C@@H]1[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO6Si/c1-11(25-26(9,10)18(6,7)8)13-14(21)19(15(13)23-12(2)20)16(22)24-17(3,4)5/h11,13,15H,1-10H3/t11-,13-,15+/m0/s1
InChIKeyJCKNYUWFILSIDC-CORIIIEPSA-N
XLogP3.68
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate with MolForge

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Related Compounds

[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
O-ethyl [(2R,3S)-1-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]sulfanylmethanethioate
CID 102260634
methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate
CID 44598755
[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl] acetate
CID 19591321
tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 170585072
tert-butyl (2R,7R,8S)-8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-9-oxo-1-azabicyclo[5.2.0]non-4-ene-2-carboxylate
CID 102461192
tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 134842895
1-O-tert-butyl 2-O-methyl (2R,3S)-4-oxo-3-propan-2-ylazetidine-1,2-dicarboxylate
CID 10778512
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
tert-butyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-prop-2-enylazetidin-1-yl]pent-4-enoate
CID 10550231

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate (CID 11372630) is tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate is CC(=O)O[C@@H]1[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
The InChIKey is JCKNYUWFILSIDC-CORIIIEPSA-N. The full InChI is InChI=1S/C18H33NO6Si/c1-11(25-26(9,10)18(6,7)8)13-14(21)19(15(13)23-12(2)20)16(22)24-17(3,4)5/h11,13,15H,1-10H3/t11-,13-,15+/m0/s1.
What are the key properties of tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate has a molecular weight of 387.55 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate is sourced from PubChem (CID 11372630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).