ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate

C14H27NO5Si — CID 10958100

IUPACethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)N1C(=O)C[C@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO5Si/c1-7-19-13(18)15-10(11(16)8-12(15)17)9-20-21(5,6)14(2,3)4/h10-11,16H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyOKPIMGCDKFQMNU-QWRGUYRKSA-N
MW317.46 g/mol
LogP2.13
Rot. Bonds4

About ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate

ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 10958100) has the molecular formula C14H27NO5Si and a molecular weight of 317.46 g/mol. Its IUPAC name is ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID10958100
Molecular FormulaC14H27NO5Si
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Nameethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)N1C(=O)C[C@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO5Si/c1-7-19-13(18)15-10(11(16)8-12(15)17)9-20-21(5,6)14(2,3)4/h10-11,16H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyOKPIMGCDKFQMNU-QWRGUYRKSA-N
XLogP2.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.13
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

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 46934909
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
2-(Tert-butyldimethylsilanyloxymethyl)-5-oxopyrrolidine-l-carboxylic acid tert-butyl ester
CID 13195228
Tert-butyl (2R)-2-([[tert-butyl(dimethyl)silyl]oxy]methyl)-5-oxo-1-pyrrolidinecarboxylate
CID 13195229
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 17793187
3-[Tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylic acid
CID 22252969
3-[Tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 23594036
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 25240168
(2S)-4-[tert-butyl(dimethyl)silyl]-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 53743884
(3R)-1-t-Butoxycarbonyl-3-t-butyldimethylsilyloxy-L-proline
CID 54215964

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate (CID 10958100) is ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate is CCOC(=O)N1C(=O)C[C@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is OKPIMGCDKFQMNU-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H27NO5Si/c1-7-19-13(18)15-10(11(16)8-12(15)17)9-20-21(5,6)14(2,3)4/h10-11,16H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 317.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10958100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).