tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate

C26H37NO4Si — CID 70649503

IUPACtert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)31-24(29)27-19-17-23(28)22(27)16-18-26(4,5)32(30,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-23,28,30H,16-19H2,1-5H3/t22-,23+/m1/s1
InChIKeyYVHZGFDWXTZQKQ-PKTZIBPZSA-N
MW455.67 g/mol
LogP3.67
Rot. Bonds6

About tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate

tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate (PubChem CID 70649503) has the molecular formula C26H37NO4Si and a molecular weight of 455.67 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate
PubChem CID70649503
Molecular FormulaC26H37NO4Si
Molecular Weight455.67 g/mol
Exact Mass455.25
IUPAC Nametert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)31-24(29)27-19-17-23(28)22(27)16-18-26(4,5)32(30,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-23,28,30H,16-19H2,1-5H3/t22-,23+/m1/s1
InChIKeyYVHZGFDWXTZQKQ-PKTZIBPZSA-N
XLogP3.67
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate (CID 70649503) is tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate?
The InChIKey is YVHZGFDWXTZQKQ-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H37NO4Si/c1-25(2,3)31-24(29)27-19-17-23(28)22(27)16-18-26(4,5)32(30,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-23,28,30H,16-19H2,1-5H3/t22-,23+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate has a molecular weight of 455.67 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 70649503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).