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

C25H42N2O6Si — CID 57008946

IUPACprop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](OC)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/C25H42N2O6Si/c1-10-11-32-24(30)27-15-19(31-7)13-18(27)12-16(2)21(28)14-20-22(23(29)26-20)17(3)33-34(8,9)25(4,5)6/h10,12,17-20,22H,1,11,13-15H2,2-9H3,(H,26,29)/t17-,18-,19+,20-,22-/m1/s1
InChIKeyZMDNVEPJCQWNQW-OUUKCGNVSA-N
MW494.71 g/mol
LogP3.83
Rot. Bonds10

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

prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate (PubChem CID 57008946) has the molecular formula C25H42N2O6Si and a molecular weight of 494.71 g/mol. Its IUPAC name is prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
PubChem CID57008946
Molecular FormulaC25H42N2O6Si
Molecular Weight494.71 g/mol
Exact Mass494.28
IUPAC Nameprop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](OC)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/C25H42N2O6Si/c1-10-11-32-24(30)27-15-19(31-7)13-18(27)12-16(2)21(28)14-20-22(23(29)26-20)17(3)33-34(8,9)25(4,5)6/h10,12,17-20,22H,1,11,13-15H2,2-9H3,(H,26,29)/t17-,18-,19+,20-,22-/m1/s1
InChIKeyZMDNVEPJCQWNQW-OUUKCGNVSA-N
XLogP3.83
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.71
LogP ≤ 53.83
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'}, {'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)-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
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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate (CID 57008946) is prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@@H](OC)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,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The InChIKey is ZMDNVEPJCQWNQW-OUUKCGNVSA-N. The full InChI is InChI=1S/C25H42N2O6Si/c1-10-11-32-24(30)27-15-19(31-7)13-18(27)12-16(2)21(28)14-20-22(23(29)26-20)17(3)33-34(8,9)25(4,5)6/h10,12,17-20,22H,1,11,13-15H2,2-9H3,(H,26,29)/t17-,18-,19+,20-,22-/m1/s1.
What are the key properties of prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate has a molecular weight of 494.71 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4S)-2-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 57008946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).