1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate

C27H37NO5Si — CID 69648987

IUPAC1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]([C@@H]1C(=O)OC)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-19-18-22(23(28)24(29)31-7)33-34(27(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23H,18-19H2,1-7H3/t22-,23-/m1/s1
InChIKeyRYOZGPGRVJQVDG-DHIUTWEWSA-N
MW483.70 g/mol
LogP—
Rot. Bonds9

About 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate (PubChem CID 69648987) has the molecular formula C27H37NO5Si and a molecular weight of 483.70 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
PubChem CID69648987
Molecular FormulaC27H37NO5Si
Molecular Weight483.70 g/mol
Exact Mass483.24
IUPAC Name1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]([C@@H]1C(=O)OC)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-19-18-22(23(28)24(29)31-7)33-34(27(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23H,18-19H2,1-7H3/t22-,23-/m1/s1
InChIKeyRYOZGPGRVJQVDG-DHIUTWEWSA-N
XLogP—
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity683

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate (CID 69648987) is 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CC[C@H]([C@@H]1C(=O)OC)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The InChIKey is RYOZGPGRVJQVDG-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-26(2,3)32-25(30)28-19-18-22(23(28)24(29)31-7)33-34(27(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23H,18-19H2,1-7H3/t22-,23-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate has a molecular weight of 483.70 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 69648987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).