prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate

C19H33N3O4Si — CID 57077629

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1ccnn1C
InChIInChI=1S/C19H33N3O4Si/c1-8-11-25-18(24)22-13-14(26-27(6,7)19(2,3)4)12-16(22)17(23)15-9-10-20-21(15)5/h8-10,14,16-17,23H,1,11-13H2,2-7H3/t14-,16+,17?/m1/s1
InChIKeyNPZHQMGNYGBDHX-UMFITKPXSA-N
MW395.58 g/mol
LogP3.24
Rot. Bonds6

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 57077629) has the molecular formula C19H33N3O4Si and a molecular weight of 395.58 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID57077629
Molecular FormulaC19H33N3O4Si
Molecular Weight395.58 g/mol
Exact Mass395.22
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1ccnn1C
InChIInChI=1S/C19H33N3O4Si/c1-8-11-25-18(24)22-13-14(26-27(6,7)19(2,3)4)12-16(22)17(23)15-9-10-20-21(15)5/h8-10,14,16-17,23H,1,11-13H2,2-7H3/t14-,16+,17?/m1/s1
InChIKeyNPZHQMGNYGBDHX-UMFITKPXSA-N
XLogP3.24
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.24
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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate (CID 57077629) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1ccnn1C.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is NPZHQMGNYGBDHX-UMFITKPXSA-N. The full InChI is InChI=1S/C19H33N3O4Si/c1-8-11-25-18(24)22-13-14(26-27(6,7)19(2,3)4)12-16(22)17(23)15-9-10-20-21(15)5/h8-10,14,16-17,23H,1,11-13H2,2-7H3/t14-,16+,17?/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 395.58 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57077629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).