methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate

C24H39NO6Si — CID 11305833

IUPACmethyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1CC(=O)OC
InChIInChI=1S/C24H39NO6Si/c1-24(2,3)32(6,7)31-20-16-25(14-13-21(26)28-4)19(15-22(27)29-5)23(20)30-17-18-11-9-8-10-12-18/h8-12,19-20,23H,13-17H2,1-7H3/t19-,20+,23-/m0/s1
InChIKeyZKLKLWNOMVETOS-MZKRTTBSSA-N
MW465.66 g/mol
LogP3.77
Rot. Bonds10

About methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate

methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate (PubChem CID 11305833) has the molecular formula C24H39NO6Si and a molecular weight of 465.66 g/mol. Its IUPAC name is methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate
PubChem CID11305833
Molecular FormulaC24H39NO6Si
Molecular Weight465.66 g/mol
Exact Mass465.25
IUPAC Namemethyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1CC(=O)OC
InChIInChI=1S/C24H39NO6Si/c1-24(2,3)32(6,7)31-20-16-25(14-13-21(26)28-4)19(15-22(27)29-5)23(20)30-17-18-11-9-8-10-12-18/h8-12,19-20,23H,13-17H2,1-7H3/t19-,20+,23-/m0/s1
InChIKeyZKLKLWNOMVETOS-MZKRTTBSSA-N
XLogP3.77
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3aR,4R,5S,7R)-5,7-dimethyl-4-phenylmethoxy-3a,4,5,7-tetrahydro-3H-[1,2]oxazolo[2,3-c][1,3]oxazin-2-one
CID 12033959
benzyl (4S)-4-(2-ethoxy-2-oxoethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 134969995
1-Butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-one
CID 162415172
(3S,5S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one
CID 162415175
methyl 2-[(2S,4R)-4-(benzyloxy)pyrrolidin-2-yl]acetate
CID 167722322
Methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate
CID 10836061
4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 4457601
trans-1-benzyloxycarbonyl-4-t-butyldimethylsilyloxy-L-proline methyl ester
CID 10069170
1-O-benzyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 10786762
benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 10787572
benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethoxy-1-oxopent-4-en-2-yl)pyrrolidine-1-carboxylate
CID 15416235
benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 15671514

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate (CID 11305833) is methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate is COC(=O)CCN1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate?
The InChIKey is ZKLKLWNOMVETOS-MZKRTTBSSA-N. The full InChI is InChI=1S/C24H39NO6Si/c1-24(2,3)32(6,7)31-20-16-25(14-13-21(26)28-4)19(15-22(27)29-5)23(20)30-17-18-11-9-8-10-12-18/h8-12,19-20,23H,13-17H2,1-7H3/t19-,20+,23-/m0/s1.
What are the key properties of methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate?
methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate has a molecular weight of 465.66 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyrrolidin-1-yl]propanoate is sourced from PubChem (CID 11305833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).