ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate

C20H31NO4Si — CID 102015005

IUPACethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)[C@@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO4Si/c1-7-24-17(22)13-21-16(14-25-26(5,6)20(2,3)4)18(19(21)23)15-11-9-8-10-12-15/h8-12,16,18H,7,13-14H2,1-6H3/t16-,18-/m0/s1
InChIKeyZXYCPPISKMDPOA-WMZOPIPTSA-N
MW377.56 g/mol
LogP3.57
Rot. Bonds7

About ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate

ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate (PubChem CID 102015005) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate
PubChem CID102015005
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Nameethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)[C@@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO4Si/c1-7-24-17(22)13-21-16(14-25-26(5,6)20(2,3)4)18(19(21)23)15-11-9-8-10-12-15/h8-12,16,18H,7,13-14H2,1-6H3/t16-,18-/m0/s1
InChIKeyZXYCPPISKMDPOA-WMZOPIPTSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate with MolForge

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Related Compounds

methyl (2S,3S)-2-benzyl-3-methyl-4-oxo-1-(2-phenylethyl)azetidine-2-carboxylate
CID 56640984
Ethyl 2-(2-oxo-1-azetidinyl)-3-phenylpropanoate
CID 24974332
1-O-tert-butyl 2-O-ethyl (2R)-2-benzylazetidine-1,2-dicarboxylate
CID 101762855
4-Carboethoxy-3-phenyl-1-trifluoromethanesulfenylazetidin-2-one
CID 14609733
ethyl (2R,3R)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylbutanoate
CID 12164880
ethyl (2S,3R)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylbutanoate
CID 12164881
ethyl (2S,3S,4S)-1,1,4-trimethyl-3-phenylazetidin-1-ium-2-carboxylate
CID 12189602
(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 54768060
ethyl (2S,3S,4S)-1,4-dimethyl-3-phenylazetidine-2-carboxylate
CID 92018991
(3r,4r)-4-Ethoxycarbonyl-3-phenylazetidin-2-one
CID 101187676
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015001
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015002

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate (CID 102015005) is ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate is CCOC(=O)CN1C(=O)[C@@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate?
The InChIKey is ZXYCPPISKMDPOA-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-7-24-17(22)13-21-16(14-25-26(5,6)20(2,3)4)18(19(21)23)15-11-9-8-10-12-15/h8-12,16,18H,7,13-14H2,1-6H3/t16-,18-/m0/s1.
What are the key properties of ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate?
ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate has a molecular weight of 377.56 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate is sourced from PubChem (CID 102015005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).