2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid

C17H35NO4Si — CID 66993694

IUPAC2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1(CCO)C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)O
InChIInChI=1S/C17H35NO4Si/c1-15(2,3)17(10-12-19)13(9-11-18(17)14(20)21)22-23(7,8)16(4,5)6/h13,19H,9-12H2,1-8H3,(H,20,21)
InChIKeyJFUDICTZIVETHF-UHFFFAOYSA-N
MW345.56 g/mol
LogP3.93
Rot. Bonds4

About 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid

2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66993694) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid
PubChem CID66993694
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Name2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1(CCO)C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)O
InChIInChI=1S/C17H35NO4Si/c1-15(2,3)17(10-12-19)13(9-11-18(17)14(20)21)22-23(7,8)16(4,5)6/h13,19H,9-12H2,1-8H3,(H,20,21)
InChIKeyJFUDICTZIVETHF-UHFFFAOYSA-N
XLogP3.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.93
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-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid (CID 66993694) is 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)C1(CCO)C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is JFUDICTZIVETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-15(2,3)17(10-12-19)13(9-11-18(17)14(20)21)22-23(7,8)16(4,5)6/h13,19H,9-12H2,1-8H3,(H,20,21).
What are the key properties of 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid?
2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 345.56 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66993694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).