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

C13H25NO5Si — CID 23252616

IUPACmethyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=O
InChIInChI=1S/C13H25NO5Si/c1-13(2,3)20(5,6)19-9-7-14(8-10(15)18-4)12(17)11(9)16/h9,11,16H,7-8H2,1-6H3/t9-,11+/m0/s1
InChIKeyJBTSYRMSSPMPIQ-GXSJLCMTSA-N
MW303.43 g/mol
LogP0.75
Rot. Bonds4

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

methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate (PubChem CID 23252616) has the molecular formula C13H25NO5Si and a molecular weight of 303.43 g/mol. Its IUPAC name is methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate
PubChem CID23252616
Molecular FormulaC13H25NO5Si
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Namemethyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=O
InChIInChI=1S/C13H25NO5Si/c1-13(2,3)20(5,6)19-9-7-14(8-10(15)18-4)12(17)11(9)16/h9,11,16H,7-8H2,1-6H3/t9-,11+/m0/s1
InChIKeyJBTSYRMSSPMPIQ-GXSJLCMTSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
CID 134974886
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
CID 91297949
methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
CID 116982564
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
(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 (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethylcyclohexylidene]acetate
CID 71605773
methyl (1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11140705
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate (CID 23252616) is methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate is COC(=O)CN1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=O.
What is the InChIKey of methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is JBTSYRMSSPMPIQ-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H25NO5Si/c1-13(2,3)20(5,6)19-9-7-14(8-10(15)18-4)12(17)11(9)16/h9,11,16H,7-8H2,1-6H3/t9-,11+/m0/s1.
What are the key properties of methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 303.43 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 23252616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).