(2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid

C17H35NO4Si — CID 67388743

IUPAC(2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
SMILESCOC[C@]1(C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)O
InChIInChI=1S/C17H35NO4Si/c1-15(2,3)17(12-21-7)10-13(11-18(17)14(19)20)22-23(8,9)16(4,5)6/h13H,10-12H2,1-9H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyGBLBVGOUVOOZSC-DYVFJYSZSA-N
MW345.56 g/mol
LogP4.19
Rot. Bonds4

About (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid

(2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 67388743) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID67388743
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Name(2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
SMILESCOC[C@]1(C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)O
InChIInChI=1S/C17H35NO4Si/c1-15(2,3)17(12-21-7)10-13(11-18(17)14(19)20)22-23(8,9)16(4,5)6/h13H,10-12H2,1-9H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyGBLBVGOUVOOZSC-DYVFJYSZSA-N
XLogP4.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
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 (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid (CID 67388743) is (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid is COC[C@]1(C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is GBLBVGOUVOOZSC-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-15(2,3)17(12-21-7)10-13(11-18(17)14(19)20)22-23(8,9)16(4,5)6/h13H,10-12H2,1-9H3,(H,19,20)/t13-,17+/m1/s1.
What are the key properties of (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid?
(2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 345.56 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67388743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).