ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate

C14H27NO4Si — CID 170603681

IUPACethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CCNC1=O
InChIInChI=1S/C14H27NO4Si/c1-7-18-12(17)14(8-9-15-11(14)16)10-19-20(5,6)13(2,3)4/h7-10H2,1-6H3,(H,15,16)
InChIKeyKYZYUAZBWPBEHZ-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.08
Rot. Bonds5

About ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate

ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate (PubChem CID 170603681) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate
PubChem CID170603681
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Nameethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CCNC1=O
InChIInChI=1S/C14H27NO4Si/c1-7-18-12(17)14(8-9-15-11(14)16)10-19-20(5,6)13(2,3)4/h7-10H2,1-6H3,(H,15,16)
InChIKeyKYZYUAZBWPBEHZ-UHFFFAOYSA-N
XLogP2.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 57326931
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918
ethyl (3R)-3-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopyrrolidine-3-carboxylate
CID 122397846
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
ethyl (1R,4S,7S,8R,11R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9,9-dimethyl-6,10-dioxo-5-oxatricyclo[5.2.2.04,8]undecane-11-carboxylate
CID 102121639
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 71603292
ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 167494824
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate (CID 170603681) is ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate is CCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CCNC1=O.
What is the InChIKey of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate?
The InChIKey is KYZYUAZBWPBEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-7-18-12(17)14(8-9-15-11(14)16)10-19-20(5,6)13(2,3)4/h7-10H2,1-6H3,(H,15,16).
What are the key properties of ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate?
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate has a molecular weight of 301.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 170603681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).