benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C19H31NO4Si — CID 15671482

IUPACbenzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H31NO4Si/c1-19(2,3)25(4,5)24-17-11-16(13-21)20(12-17)18(22)23-14-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16-,17+/m0/s1
InChIKeySVLKFYXQCSRESP-DLBZAZTESA-N
MW365.55 g/mol
LogP3.78
Rot. Bonds5

About benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 15671482) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID15671482
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Namebenzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H31NO4Si/c1-19(2,3)25(4,5)24-17-11-16(13-21)20(12-17)18(22)23-14-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16-,17+/m0/s1
InChIKeySVLKFYXQCSRESP-DLBZAZTESA-N
XLogP3.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
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 benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 15671482) is benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is SVLKFYXQCSRESP-DLBZAZTESA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-19(2,3)25(4,5)24-17-11-16(13-21)20(12-17)18(22)23-14-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 365.55 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15671482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).