methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate

C15H29NO3Si — CID 101469353

IUPACmethyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC
InChIInChI=1S/C15H29NO3Si/c1-8-9-12-10-13(11-16(12)14(17)18-5)19-20(6,7)15(2,3)4/h8,12-13H,1,9-11H2,2-7H3/t12-,13+/m0/s1
InChIKeyHALOUFGPARZPQR-QWHCGFSZSA-N
MW299.49 g/mol
LogP3.79
Rot. Bonds4

About methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate

methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 101469353) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID101469353
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Namemethyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC
InChIInChI=1S/C15H29NO3Si/c1-8-9-12-10-13(11-16(12)14(17)18-5)19-20(6,7)15(2,3)4/h8,12-13H,1,9-11H2,2-7H3/t12-,13+/m0/s1
InChIKeyHALOUFGPARZPQR-QWHCGFSZSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate (CID 101469353) is methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC.
What is the InChIKey of methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is HALOUFGPARZPQR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-8-9-12-10-13(11-16(12)14(17)18-5)19-20(6,7)15(2,3)4/h8,12-13H,1,9-11H2,2-7H3/t12-,13+/m0/s1.
What are the key properties of methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate?
methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 299.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 101469353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).