bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate

C24H39N3O7Si — CID 15117310

IUPACbis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)CN1C(=O)OCC=C
InChIInChI=1S/C24H39N3O7Si/c1-9-11-32-22(30)26-14-17(15-27(26)23(31)33-12-10-2)19(28)13-18-20(21(29)25-18)16(3)34-35(7,8)24(4,5)6/h9-10,16-18,20H,1-2,11-15H2,3-8H3,(H,25,29)/t16-,18-,20-/m1/s1
InChIKeyFPMKEBFCYOEOOX-YVWKXTFCSA-N
MW509.68 g/mol
LogP3.26
Rot. Bonds10

About bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate

bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate (PubChem CID 15117310) has the molecular formula C24H39N3O7Si and a molecular weight of 509.68 g/mol. Its IUPAC name is bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate
PubChem CID15117310
Molecular FormulaC24H39N3O7Si
Molecular Weight509.68 g/mol
Exact Mass509.26
IUPAC Namebis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)CN1C(=O)OCC=C
InChIInChI=1S/C24H39N3O7Si/c1-9-11-32-22(30)26-14-17(15-27(26)23(31)33-12-10-2)19(28)13-18-20(21(29)25-18)16(3)34-35(7,8)24(4,5)6/h9-10,16-18,20H,1-2,11-15H2,3-8H3,(H,25,29)/t16-,18-,20-/m1/s1
InChIKeyFPMKEBFCYOEOOX-YVWKXTFCSA-N
XLogP3.26
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate (CID 15117310) is bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate is C=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)CN1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate?
The InChIKey is FPMKEBFCYOEOOX-YVWKXTFCSA-N. The full InChI is InChI=1S/C24H39N3O7Si/c1-9-11-32-22(30)26-14-17(15-27(26)23(31)33-12-10-2)19(28)13-18-20(21(29)25-18)16(3)34-35(7,8)24(4,5)6/h9-10,16-18,20H,1-2,11-15H2,3-8H3,(H,25,29)/t16-,18-,20-/m1/s1.
What are the key properties of bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate?
bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate has a molecular weight of 509.68 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrazolidine-1,2-dicarboxylate is sourced from PubChem (CID 15117310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).