(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid

C13H24FNO4Si — CID 140819229

IUPAC(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)[C@@H](F)C[C@H]1C(=O)O
InChIInChI=1S/C13H24FNO4Si/c1-13(2,3)20(4,5)19-7-6-15-10(12(17)18)8-9(14)11(15)16/h9-10H,6-8H2,1-5H3,(H,17,18)/t9-,10-/m0/s1
InChIKeyLKRSUAQFICYFNU-UWVGGRQHSA-N
MW305.42 g/mol
LogP2.03
Rot. Bonds5

About (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid

(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 140819229) has the molecular formula C13H24FNO4Si and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
PubChem CID140819229
Molecular FormulaC13H24FNO4Si
Molecular Weight305.42 g/mol
Exact Mass305.15
IUPAC Name(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)[C@@H](F)C[C@H]1C(=O)O
InChIInChI=1S/C13H24FNO4Si/c1-13(2,3)20(4,5)19-7-6-15-10(12(17)18)8-9(14)11(15)16/h9-10H,6-8H2,1-5H3,(H,17,18)/t9-,10-/m0/s1
InChIKeyLKRSUAQFICYFNU-UWVGGRQHSA-N
XLogP2.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.03
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,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid (CID 140819229) is (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCCN1C(=O)[C@@H](F)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is LKRSUAQFICYFNU-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H24FNO4Si/c1-13(2,3)20(4,5)19-7-6-15-10(12(17)18)8-9(14)11(15)16/h9-10H,6-8H2,1-5H3,(H,17,18)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140819229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).