methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate

C15H26N2O5Si — CID 134974886

IUPACmethyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#N
InChIInChI=1S/C15H26N2O5Si/c1-15(2,3)23(6,7)22-12-10(8-16)17(9-11(18)20-4)14(19)13(12)21-5/h10,12-13H,9H2,1-7H3/t10-,12+,13-/m1/s1
InChIKeyGVBQZFZWKTXGAP-KGYLQXTDSA-N
MW342.47 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate

methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate (PubChem CID 134974886) has the molecular formula C15H26N2O5Si and a molecular weight of 342.47 g/mol. Its IUPAC name is methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
PubChem CID134974886
Molecular FormulaC15H26N2O5Si
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#N
InChIInChI=1S/C15H26N2O5Si/c1-15(2,3)23(6,7)22-12-10(8-16)17(9-11(18)20-4)14(19)13(12)21-5/h10,12-13H,9H2,1-7H3/t10-,12+,13-/m1/s1
InChIKeyGVBQZFZWKTXGAP-KGYLQXTDSA-N
XLogP1.30
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile
CID 24777602
methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 23252616
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
(2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-methoxy-2-oxoethyl)-4-oxoazetidin-2-yl]propanoic acid
CID 70356135
methyl 2-[(2S,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxy-4-oxoazetidin-1-yl]acetate
CID 101189039
(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one
CID 11261408
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate
CID 155453938
methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
CID 11517701
methyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(1-phenyl-1-sulfanylidenepropan-2-yl)azetidin-1-yl]acetate
CID 76501200
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
CID 11108372

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate (CID 134974886) is methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate is COC(=O)CN1C(=O)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C#N.
What is the InChIKey of methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate?
The InChIKey is GVBQZFZWKTXGAP-KGYLQXTDSA-N. The full InChI is InChI=1S/C15H26N2O5Si/c1-15(2,3)23(6,7)22-12-10(8-16)17(9-11(18)20-4)14(19)13(12)21-5/h10,12-13H,9H2,1-7H3/t10-,12+,13-/m1/s1.
What are the key properties of methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate?
methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate has a molecular weight of 342.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 134974886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).