(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid

C10H18INO4Si — CID 68759600

IUPAC(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
SMILESC[Si](C)(C)O[C@H]1C[C@H](C(=O)O)N(C(=O)CI)C1
InChIInChI=1S/C10H18INO4Si/c1-17(2,3)16-7-4-8(10(14)15)12(6-7)9(13)5-11/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKeySQFULKAZGAVTOX-JGVFFNPUSA-N
MW371.25 g/mol
LogP1.33
Rot. Bonds4

About (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid

(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid (PubChem CID 68759600) has the molecular formula C10H18INO4Si and a molecular weight of 371.25 g/mol. Its IUPAC name is (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
PubChem CID68759600
Molecular FormulaC10H18INO4Si
Molecular Weight371.25 g/mol
Exact Mass371.00
IUPAC Name(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
SMILESC[Si](C)(C)O[C@H]1C[C@H](C(=O)O)N(C(=O)CI)C1
InChIInChI=1S/C10H18INO4Si/c1-17(2,3)16-7-4-8(10(14)15)12(6-7)9(13)5-11/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKeySQFULKAZGAVTOX-JGVFFNPUSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 51.33
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 66996368
1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid
CID 77247547
(2S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 57244001
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
(2S,4S)-1-(4-acetylsulfanylbutanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 54469246
1-[2-(2-iodophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 120534457
trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
CID 620369
propan-2-yl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708147
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid
CID 10025777
1-[2-[(2-aminoacetyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159252

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid (CID 68759600) is (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid is C[Si](C)(C)O[C@H]1C[C@H](C(=O)O)N(C(=O)CI)C1.
What is the InChIKey of (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
The InChIKey is SQFULKAZGAVTOX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18INO4Si/c1-17(2,3)16-7-4-8(10(14)15)12(6-7)9(13)5-11/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
(2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid has a molecular weight of 371.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(2-iodoacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68759600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).