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

C10H18ClNO4Si — CID 66996368

IUPAC(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
SMILESC[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCl)C1
InChIInChI=1S/C10H18ClNO4Si/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+/m1/s1
InChIKeyIAAZTWDMBJFGFO-SFYZADRCSA-N
MW279.80 g/mol
LogP1.13
Rot. Bonds4

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

(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid (PubChem CID 66996368) has the molecular formula C10H18ClNO4Si and a molecular weight of 279.80 g/mol. Its IUPAC name is (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
PubChem CID66996368
Molecular FormulaC10H18ClNO4Si
Molecular Weight279.80 g/mol
Exact Mass279.07
IUPAC Name(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
SMILESC[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCl)C1
InChIInChI=1S/C10H18ClNO4Si/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+/m1/s1
InChIKeyIAAZTWDMBJFGFO-SFYZADRCSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 51.13
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,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
1-(2-bromoacetyl)-4-triethylsilyloxypyrrolidine-2-carboxylic acid
CID 77247547
(2S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-trimethylsilyloxypyrrolidine-2-carboxylic acid
CID 57244001
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
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
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]pyrrolidine-2-carboxylic acid
CID 10025777
1-[2-(2,4-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43172327

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid (CID 66996368) is (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid is C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCl)C1.
What is the InChIKey of (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
The InChIKey is IAAZTWDMBJFGFO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18ClNO4Si/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+/m1/s1.
What are the key properties of (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid has a molecular weight of 279.80 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-chloroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66996368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).