tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

C23H43NO7Si — CID 11705553

IUPACtert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
SMILESCOC(=O)CC[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H43NO7Si/c1-21(2,3)31-20(26)24-15(12-13-17(25)27-9)18-19(30-23(7,8)29-18)16(24)14-28-32(10,11)22(4,5)6/h15-16,18-19H,12-14H2,1-11H3/t15-,16-,18+,19-/m1/s1
InChIKeySFDFXVLRXFAZMV-ZAWLATJESA-N
MW473.68 g/mol
LogP4.47
Rot. Bonds6

About tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate (PubChem CID 11705553) has the molecular formula C23H43NO7Si and a molecular weight of 473.68 g/mol. Its IUPAC name is tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
PubChem CID11705553
Molecular FormulaC23H43NO7Si
Molecular Weight473.68 g/mol
Exact Mass473.28
IUPAC Nametert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
SMILESCOC(=O)CC[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H43NO7Si/c1-21(2,3)31-20(26)24-15(12-13-17(25)27-9)18-19(30-23(7,8)29-18)16(24)14-28-32(10,11)22(4,5)6/h15-16,18-19H,12-14H2,1-11H3/t15-,16-,18+,19-/m1/s1
InChIKeySFDFXVLRXFAZMV-ZAWLATJESA-N
XLogP4.47
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.68
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-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 (3aS,5S,6R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-(2,2-dimethylpropanoyloxymethyl)-6-formyloxy-2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate
CID 71819333
Tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 90157867
(3aS,6R,6aR)-tert-butyl 4-(2-(tert-butoxy)-2-oxoethyl)-6-(hydroxymethyl)-2,2-dimethyldihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5(4H)-carboxylate
CID 90157869
Tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 90158461
tert-butyl (3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 90158463
tert-butyl (3aR,4R,6aS)-6-(2-amino-2-oxoethyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 90176324
tert-butyl (3aS,6R,6aR)-6-ethyl-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 118446207
tert-butyl (3aR,4R,6R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 132187647
1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate
CID 177365216
1-O-tert-butyl 2-O-methyl (2S,4S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-4-tri(propan-2-yl)silyloxypyrrolidine-1,2-dicarboxylate
CID 177365258
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate (CID 11705553) is tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate is COC(=O)CC[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
The InChIKey is SFDFXVLRXFAZMV-ZAWLATJESA-N. The full InChI is InChI=1S/C23H43NO7Si/c1-21(2,3)31-20(26)24-15(12-13-17(25)27-9)18-19(30-23(7,8)29-18)16(24)14-28-32(10,11)22(4,5)6/h15-16,18-19H,12-14H2,1-11H3/t15-,16-,18+,19-/m1/s1.
What are the key properties of tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate has a molecular weight of 473.68 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3aR,4R,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-methoxy-3-oxopropyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate is sourced from PubChem (CID 11705553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).