methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate

C14H27NO4Si — CID 174030231

IUPACmethyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-14(2,3)20(5,6)19-10-11-7-8-12(16)15(11)9-13(17)18-4/h11H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyXCIQHCZLUUOBKE-NSHDSACASA-N
MW301.46 g/mol
LogP2.17
Rot. Bonds5

About methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate

methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate (PubChem CID 174030231) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
PubChem CID174030231
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Namemethyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-14(2,3)20(5,6)19-10-11-7-8-12(16)15(11)9-13(17)18-4/h11H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyXCIQHCZLUUOBKE-NSHDSACASA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 10449657
S-[2-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
CID 56834438
2-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate
CID 86594639
propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
CID 23577213
methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate
CID 155453938
(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 90304976
methyl 2-[(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-methoxy-5-oxopyrrolidin-1-yl]acetate
CID 134974886
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 102585686
2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]benzonitrile
CID 15525698
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
CID 11268145
methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 23252616

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate (CID 174030231) is methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate is COC(=O)CN1C(=O)CC[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
The InChIKey is XCIQHCZLUUOBKE-NSHDSACASA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-14(2,3)20(5,6)19-10-11-7-8-12(16)15(11)9-13(17)18-4/h11H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate?
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate has a molecular weight of 301.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 174030231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).