prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate

C21H37N3O4Si — CID 67752035

IUPACprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCc1c(CO)cnn1C
InChIInChI=1S/C21H37N3O4Si/c1-8-11-27-20(26)24-14-18(28-29(6,7)21(2,3)4)12-17(24)9-10-19-16(15-25)13-22-23(19)5/h8,13,17-18,25H,1,9-12,14-15H2,2-7H3/t17-,18-/m1/s1
InChIKeyDKPQIBCFFPPHPL-QZTJIDSGSA-N
MW423.63 g/mol
LogP3.63
Rot. Bonds8

About prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate

prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate (PubChem CID 67752035) has the molecular formula C21H37N3O4Si and a molecular weight of 423.63 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate
PubChem CID67752035
Molecular FormulaC21H37N3O4Si
Molecular Weight423.63 g/mol
Exact Mass423.26
IUPAC Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCc1c(CO)cnn1C
InChIInChI=1S/C21H37N3O4Si/c1-8-11-27-20(26)24-14-18(28-29(6,7)21(2,3)4)12-17(24)9-10-19-16(15-25)13-22-23(19)5/h8,13,17-18,25H,1,9-12,14-15H2,2-7H3/t17-,18-/m1/s1
InChIKeyDKPQIBCFFPPHPL-QZTJIDSGSA-N
XLogP3.63
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate (CID 67752035) is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCc1c(CO)cnn1C.
What is the InChIKey of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is DKPQIBCFFPPHPL-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H37N3O4Si/c1-8-11-27-20(26)24-14-18(28-29(6,7)21(2,3)4)12-17(24)9-10-19-16(15-25)13-22-23(19)5/h8,13,17-18,25H,1,9-12,14-15H2,2-7H3/t17-,18-/m1/s1.
What are the key properties of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 423.63 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67752035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).