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

C21H31NO6Si — CID 134884035

IUPACbenzyl (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)OCc1ccccc1
InChIInChI=1S/C21H31NO6Si/c1-14(28-29(6,7)21(3,4)5)17-18(24)22(19(17)27-15(2)23)20(25)26-13-16-11-9-8-10-12-16/h8-12,14,17,19H,13H2,1-7H3/t14-,17-,19+/m0/s1
InChIKeyLSDOIDXDPHUGBU-UCLAIMLFSA-N
MW421.57 g/mol
LogP4.08
Rot. Bonds6

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

benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate (PubChem CID 134884035) has the molecular formula C21H31NO6Si and a molecular weight of 421.57 g/mol. Its IUPAC name is benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
PubChem CID134884035
Molecular FormulaC21H31NO6Si
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Namebenzyl (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)OCc1ccccc1
InChIInChI=1S/C21H31NO6Si/c1-14(28-29(6,7)21(3,4)5)17-18(24)22(19(17)27-15(2)23)20(25)26-13-16-11-9-8-10-12-16/h8-12,14,17,19H,13H2,1-7H3/t14-,17-,19+/m0/s1
InChIKeyLSDOIDXDPHUGBU-UCLAIMLFSA-N
XLogP4.08
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(4-phenylbutanoyloxy)ethyl]azetidine-1-carboxylate
CID 71575475
[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-phenylmethoxyacetate
CID 71575479
prop-2-enyl (3S)-2-oxo-3-[(1R)-1-(2-phenylmethoxyacetyl)oxyethyl]azetidine-1-carboxylate
CID 71575480
benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
CID 11632207
benzyl (2E)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
CID 11689335
Tert-butyl 3-[(benzyloxy)methyl]-3-formylazetidine-1-carboxylate
CID 178200106
benzyl (2S,5R,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,7-dioxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11101847
2-(3-Ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid
CID 15934693
[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 4-fluorobenzoate
CID 139669335
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 23634960
benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneazetidine-1-carboxylate
CID 134926386
benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 146164143

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate (CID 134884035) is benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
The canonical SMILES for benzyl (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)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
The InChIKey is LSDOIDXDPHUGBU-UCLAIMLFSA-N. The full InChI is InChI=1S/C21H31NO6Si/c1-14(28-29(6,7)21(3,4)5)17-18(24)22(19(17)27-15(2)23)20(25)26-13-16-11-9-8-10-12-16/h8-12,14,17,19H,13H2,1-7H3/t14-,17-,19+/m0/s1.
What are the key properties of benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate?
benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate has a molecular weight of 421.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate is sourced from PubChem (CID 134884035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).