2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid

C21H27NO3Si — CID 174191674

IUPAC2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC1CCCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(17-11-6-4-7-12-17,18-13-8-5-9-14-18)25-19-15-10-16-22(19)20(23)24/h4-9,11-14,19H,10,15-16H2,1-3H3,(H,23,24)
InChIKeyHFCUYBZJAAVAGN-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.66
Rot. Bonds4

About 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid

2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid (PubChem CID 174191674) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid
PubChem CID174191674
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OC1CCCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(17-11-6-4-7-12-17,18-13-8-5-9-14-18)25-19-15-10-16-22(19)20(23)24/h4-9,11-14,19H,10,15-16H2,1-3H3,(H,23,24)
InChIKeyHFCUYBZJAAVAGN-UHFFFAOYSA-N
XLogP3.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]oxypyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid (CID 174191674) is 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid is CC(C)(C)[Si](OC1CCCN1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid?
The InChIKey is HFCUYBZJAAVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2,3)26(17-11-6-4-7-12-17,18-13-8-5-9-14-18)25-19-15-10-16-22(19)20(23)24/h4-9,11-14,19H,10,15-16H2,1-3H3,(H,23,24).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid?
2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid has a molecular weight of 369.54 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174191674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).