methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate

C17H32FNO4Si — CID 142327835

IUPACmethyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32FNO4Si/c1-16(2,3)24(7,8)23-11-17(4,5)10-19-13(15(21)22-6)9-12(18)14(19)20/h12-13H,9-11H2,1-8H3/t12-,13+/m1/s1
InChIKeyOHEXWRKBBVDIFA-OLZOCXBDSA-N
MW361.53 g/mol
LogP3.15
Rot. Bonds6

About methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate

methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate (PubChem CID 142327835) has the molecular formula C17H32FNO4Si and a molecular weight of 361.53 g/mol. Its IUPAC name is methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
PubChem CID142327835
Molecular FormulaC17H32FNO4Si
Molecular Weight361.53 g/mol
Exact Mass361.21
IUPAC Namemethyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32FNO4Si/c1-16(2,3)24(7,8)23-11-17(4,5)10-19-13(15(21)22-6)9-12(18)14(19)20/h12-13H,9-11H2,1-8H3/t12-,13+/m1/s1
InChIKeyOHEXWRKBBVDIFA-OLZOCXBDSA-N
XLogP3.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate (CID 142327835) is methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The InChIKey is OHEXWRKBBVDIFA-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H32FNO4Si/c1-16(2,3)24(7,8)23-11-17(4,5)10-19-13(15(21)22-6)9-12(18)14(19)20/h12-13H,9-11H2,1-8H3/t12-,13+/m1/s1.
What are the key properties of methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate has a molecular weight of 361.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 142327835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).