(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid

C13H25NO4Si — CID 172736957

IUPAC(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)N1C(=O)O
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-8-10-6-7-11(15)14(10)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)/t10-/m0/s1
InChIKeyIOMYBPJFYVMGMI-JTQLQIEISA-N
MW287.43 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid (PubChem CID 172736957) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid
PubChem CID172736957
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)N1C(=O)O
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-8-10-6-7-11(15)14(10)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)/t10-/m0/s1
InChIKeyIOMYBPJFYVMGMI-JTQLQIEISA-N
XLogP3.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.07
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 (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid (CID 172736957) is (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)N1C(=O)O.
What is the InChIKey of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid?
The InChIKey is IOMYBPJFYVMGMI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-13(2,3)19(4,5)18-9-8-10-6-7-11(15)14(10)12(16)17/h10H,6-9H2,1-5H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid?
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid has a molecular weight of 287.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 172736957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).