prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate

C24H39FN2O5Si — CID 57199355

IUPACprop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(F)C[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H39FN2O5Si/c1-9-10-31-23(30)27-14-17(25)12-18(27)11-15(2)20(28)13-19-21(22(29)26-19)16(3)32-33(7,8)24(4,5)6/h9,11,16-19,21H,1,10,12-14H2,2-8H3,(H,26,29)/t16-,17?,18-,19-,21-/m1/s1
InChIKeyULMSBOGCYDXERL-JHVJDWPJSA-N
MW482.67 g/mol
LogP4.15
Rot. Bonds9

About prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate

prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate (PubChem CID 57199355) has the molecular formula C24H39FN2O5Si and a molecular weight of 482.67 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate
PubChem CID57199355
Molecular FormulaC24H39FN2O5Si
Molecular Weight482.67 g/mol
Exact Mass482.26
IUPAC Nameprop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(F)C[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H39FN2O5Si/c1-9-10-31-23(30)27-14-17(25)12-18(27)11-15(2)20(28)13-19-21(22(29)26-19)16(3)32-33(7,8)24(4,5)6/h9,11,16-19,21H,1,10,12-14H2,2-8H3,(H,26,29)/t16-,17?,18-,19-,21-/m1/s1
InChIKeyULMSBOGCYDXERL-JHVJDWPJSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl (2S)-2-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-4-fluoropyrrolidine-1-carboxylate
CID 15117270
prop-2-enyl (2S)-4-fluoro-2-[4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]pyrrolidine-1-carboxylate
CID 57194661
prop-2-enyl (2S)-4-fluoro-2-[(E)-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]pyrrolidine-1-carboxylate
CID 67792544
prop-2-enyl (2S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate
CID 173344682
prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate
CID 173344684
(3S,4R)-4-[2-(1-allyloxycarbonylpyrrolidin-3-yl)-2-oxoethyl]-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-2-oxoazetidine
CID 15117203
prop-2-enyl (3R)-3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrrolidine-1-carboxylate
CID 15117204
prop-2-enyl (3S)-3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]pyrrolidine-1-carboxylate
CID 15117205
(3S,4R)-4-[2-(1-allyloxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)-2-oxoethyl]-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-2-oxoazetidine
CID 15117214
prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2,5-dihydropyrrole-1-carboxylate
CID 15117221
prop-2-enyl 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 15117226
prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
CID 15117234

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate (CID 57199355) is prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(F)C[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate?
The InChIKey is ULMSBOGCYDXERL-JHVJDWPJSA-N. The full InChI is InChI=1S/C24H39FN2O5Si/c1-9-10-31-23(30)27-14-17(25)12-18(27)11-15(2)20(28)13-19-21(22(29)26-19)16(3)32-33(7,8)24(4,5)6/h9,11,16-19,21H,1,10,12-14H2,2-8H3,(H,26,29)/t16-,17?,18-,19-,21-/m1/s1.
What are the key properties of prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate?
prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate has a molecular weight of 482.67 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 57199355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).