prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate

C20H35N3O4Si — CID 173325544

IUPACprop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@]1(CCn1cncc1CO)O[SiH](C)C
InChIInChI=1S/C20H35N3O4Si/c1-7-10-26-18(25)23-13-16(19(2,3)4)11-20(23,27-28(5)6)8-9-22-15-21-12-17(22)14-24/h7,12,15-16,24,28H,1,8-11,13-14H2,2-6H3/t16-,20-/m0/s1
InChIKeyDEVOPOPVFWOCBH-JXFKEZNVSA-N
MW409.60 g/mol
LogP3.15
Rot. Bonds8

About prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate

prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate (PubChem CID 173325544) has the molecular formula C20H35N3O4Si and a molecular weight of 409.60 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate
PubChem CID173325544
Molecular FormulaC20H35N3O4Si
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Nameprop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@]1(CCn1cncc1CO)O[SiH](C)C
InChIInChI=1S/C20H35N3O4Si/c1-7-10-26-18(25)23-13-16(19(2,3)4)11-20(23,27-28(5)6)8-9-22-15-21-12-17(22)14-24/h7,12,15-16,24,28H,1,8-11,13-14H2,2-6H3/t16-,20-/m0/s1
InChIKeyDEVOPOPVFWOCBH-JXFKEZNVSA-N
XLogP3.15
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.15
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-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate (CID 173325544) is prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@@H](C(C)(C)C)C[C@]1(CCn1cncc1CO)O[SiH](C)C.
What is the InChIKey of prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is DEVOPOPVFWOCBH-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H35N3O4Si/c1-7-10-26-18(25)23-13-16(19(2,3)4)11-20(23,27-28(5)6)8-9-22-15-21-12-17(22)14-24/h7,12,15-16,24,28H,1,8-11,13-14H2,2-6H3/t16-,20-/m0/s1.
What are the key properties of prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 409.60 g/mol, XLogP of 3.15, 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-2-dimethylsilyloxy-2-[2-[5-(hydroxymethyl)imidazol-1-yl]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173325544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).