2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid

C22H29NO4Si — CID 141301360

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCC1CCC(O)N1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17,20,24H,14-16H2,1-3H3,(H,25,26)
InChIKeyFUDPNTLESBJDIS-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.02
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 141301360) has the molecular formula C22H29NO4Si and a molecular weight of 399.56 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
PubChem CID141301360
Molecular FormulaC22H29NO4Si
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCC1CCC(O)N1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17,20,24H,14-16H2,1-3H3,(H,25,26)
InChIKeyFUDPNTLESBJDIS-UHFFFAOYSA-N
XLogP3.02
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid (CID 141301360) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OCC1CCC(O)N1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is FUDPNTLESBJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4Si/c1-22(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-17-14-15-20(24)23(17)21(25)26/h4-13,17,20,24H,14-16H2,1-3H3,(H,25,26).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 399.56 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141301360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).