methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate

C22H34N2O5Si — CID 11517701

IUPACmethyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
SMILESCOC(=O)C/N=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](OC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H34N2O5Si/c1-22(2,3)30(6,7)29-17(13-23-14-18(25)27-4)19-20(28-5)21(26)24(19)15-16-11-9-8-10-12-16/h8-13,17,19-20H,14-15H2,1-7H3/b23-13+/t17-,19+,20-/m1/s1
InChIKeyJKZPOBCCTARJRL-FDSQJSGGSA-N
MW434.61 g/mol
LogP3.05
Rot. Bonds9

About methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate

methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate (PubChem CID 11517701) has the molecular formula C22H34N2O5Si and a molecular weight of 434.61 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
PubChem CID11517701
Molecular FormulaC22H34N2O5Si
Molecular Weight434.61 g/mol
Exact Mass434.22
IUPAC Namemethyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
SMILESCOC(=O)C/N=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](OC)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H34N2O5Si/c1-22(2,3)30(6,7)29-17(13-23-14-18(25)27-4)19-20(28-5)21(26)24(19)15-16-11-9-8-10-12-16/h8-13,17,19-20H,14-15H2,1-7H3/b23-13+/t17-,19+,20-/m1/s1
InChIKeyJKZPOBCCTARJRL-FDSQJSGGSA-N
XLogP3.05
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2S,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-methoxyacetaldehyde
CID 11499919
(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
CID 10992980
benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 11826773
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate
CID 101189039
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
(3R,4R)-1-benzyl-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-phenylmethoxyazetidin-2-one
CID 10553776
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10552752
methyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(1-phenyl-1-sulfanylidenepropan-2-yl)azetidin-1-yl]acetate
CID 76501200
(1S,4R,5S,6R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 101036633
methyl (1R,3S,3aR,6aS)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 101376536

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate (CID 11517701) is methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate is COC(=O)C/N=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](OC)C(=O)N1Cc1ccccc1.
What is the InChIKey of methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate?
The InChIKey is JKZPOBCCTARJRL-FDSQJSGGSA-N. The full InChI is InChI=1S/C22H34N2O5Si/c1-22(2,3)30(6,7)29-17(13-23-14-18(25)27-4)19-20(28-5)21(26)24(19)15-16-11-9-8-10-12-16/h8-13,17,19-20H,14-15H2,1-7H3/b23-13+/t17-,19+,20-/m1/s1.
What are the key properties of methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate?
methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate has a molecular weight of 434.61 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate is sourced from PubChem (CID 11517701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).