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

C22H41NO6Si — CID 10623135

IUPACtert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](CCC2(C)OCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-17(15-28-30(8,9)21(4,5)6)16(14-18(23)24)10-11-22(7)26-12-13-27-22/h16-17H,10-15H2,1-9H3/t16-,17+/m0/s1
InChIKeyMTFMQXXGHFLRJF-DLBZAZTESA-N
MW443.66 g/mol
LogP4.70
Rot. Bonds6

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

tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 10623135) has the molecular formula C22H41NO6Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID10623135
Molecular FormulaC22H41NO6Si
Molecular Weight443.66 g/mol
Exact Mass443.27
IUPAC Nametert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](CCC2(C)OCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-17(15-28-30(8,9)21(4,5)6)16(14-18(23)24)10-11-22(7)26-12-13-27-22/h16-17H,10-15H2,1-9H3/t16-,17+/m0/s1
InChIKeyMTFMQXXGHFLRJF-DLBZAZTESA-N
XLogP4.70
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10741255
tert-butyl (2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10765038
tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 12010536
tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 23256024
ditert-butyl (2S,4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1,2-dicarboxylate
CID 72736990
3-[2-[5-[1-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163012731
(4S)-3-[(2S)-2-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163012732
(4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163012733

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate (CID 10623135) is tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](CCC2(C)OCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is MTFMQXXGHFLRJF-DLBZAZTESA-N. The full InChI is InChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-17(15-28-30(8,9)21(4,5)6)16(14-18(23)24)10-11-22(7)26-12-13-27-22/h16-17H,10-15H2,1-9H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 443.66 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10623135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).