ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate

C20H39NO5Si — CID 131728356

IUPACethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C(C)(C)O[SiH2]C(C)(C)C)CCN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H39NO5Si/c1-10-24-16(23)20(19(8,9)26-27-18(5,6)7)11-12-21(14-20)13-15(22)25-17(2,3)4/h10-14,27H2,1-9H3
InChIKeyIIJKTJRKXQDVHP-UHFFFAOYSA-N
MW401.62 g/mol
LogP2.68
Rot. Bonds7

About ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate

ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 131728356) has the molecular formula C20H39NO5Si and a molecular weight of 401.62 g/mol. Its IUPAC name is ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID131728356
Molecular FormulaC20H39NO5Si
Molecular Weight401.62 g/mol
Exact Mass401.26
IUPAC Nameethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C(C)(C)O[SiH2]C(C)(C)C)CCN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H39NO5Si/c1-10-24-16(23)20(19(8,9)26-27-18(5,6)7)11-12-21(14-20)13-15(22)25-17(2,3)4/h10-14,27H2,1-9H3
InChIKeyIIJKTJRKXQDVHP-UHFFFAOYSA-N
XLogP2.68
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 52.68
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

3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324268
tert-butyl 2-[6-(2-ethoxy-2-oxoethoxy)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-phenyl-1,4-diazepan-1-yl]acetate
CID 71658663
tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
CID 11195897
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
ethyl 4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxobutanoate
CID 114172924
tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate
CID 22975802
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
1-O-tert-butyl 3-O-ethyl 3-(1-aminocyclopropyl)azetidine-1,3-dicarboxylate
CID 59558418

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate (CID 131728356) is ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate is CCOC(=O)C1(C(C)(C)O[SiH2]C(C)(C)C)CCN(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is IIJKTJRKXQDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO5Si/c1-10-24-16(23)20(19(8,9)26-27-18(5,6)7)11-12-21(14-20)13-15(22)25-17(2,3)4/h10-14,27H2,1-9H3.
What are the key properties of ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate?
ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 401.62 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 131728356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).