1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid

C13H24BrNO4Si — CID 77247547

IUPAC1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid
SMILESCC[Si](CC)(CC)OC1CC(C(=O)O)N(C(=O)CBr)C1
InChIInChI=1S/C13H24BrNO4Si/c1-4-20(5-2,6-3)19-10-7-11(13(17)18)15(9-10)12(16)8-14/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyZTLDQRAPWQJYDL-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.46
Rot. Bonds7

About 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid

1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid (PubChem CID 77247547) has the molecular formula C13H24BrNO4Si and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid
PubChem CID77247547
Molecular FormulaC13H24BrNO4Si
Molecular Weight366.33 g/mol
Exact Mass365.07
IUPAC Name1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid
SMILESCC[Si](CC)(CC)OC1CC(C(=O)O)N(C(=O)CBr)C1
InChIInChI=1S/C13H24BrNO4Si/c1-4-20(5-2,6-3)19-10-7-11(13(17)18)15(9-10)12(16)8-14/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyZTLDQRAPWQJYDL-UHFFFAOYSA-N
XLogP2.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 68759600
(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 66996368
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
(2S,4S)-4-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15222300
(2S,4R)-1-acetyl-4-propoxypyrrolidine-2-carboxylic acid
CID 12849539
1-[3-(aminomethyl)pentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 81086647
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
1-docosanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78122778
(2S,4S)-4-hydroxy-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64714932

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid (CID 77247547) is 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid is CC[Si](CC)(CC)OC1CC(C(=O)O)N(C(=O)CBr)C1.
What is the InChIKey of 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid?
The InChIKey is ZTLDQRAPWQJYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO4Si/c1-4-20(5-2,6-3)19-10-7-11(13(17)18)15(9-10)12(16)8-14/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid?
1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid has a molecular weight of 366.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 77247547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).