benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H38N2O5Si — CID 15117237

IUPACbenzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)C1=CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C26H38N2O5Si/c1-18(33-34(5,6)26(2,3)4)23-21(27-24(23)30)16-22(29)20-12-14-28(15-13-20)25(31)32-17-19-10-8-7-9-11-19/h7-12,18,21,23H,13-17H2,1-6H3,(H,27,30)/t18-,21-,23-/m1/s1
InChIKeyGHAGSNYSVHCZQI-JMUQELJHSA-N
MW486.69 g/mol
LogP4.44
Rot. Bonds8

About benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15117237) has the molecular formula C26H38N2O5Si and a molecular weight of 486.69 g/mol. Its IUPAC name is benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID15117237
Molecular FormulaC26H38N2O5Si
Molecular Weight486.69 g/mol
Exact Mass486.25
IUPAC Namebenzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)C1=CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C26H38N2O5Si/c1-18(33-34(5,6)26(2,3)4)23-21(27-24(23)30)16-22(29)20-12-14-28(15-13-20)25(31)32-17-19-10-8-7-9-11-19/h7-12,18,21,23H,13-17H2,1-6H3,(H,27,30)/t18-,21-,23-/m1/s1
InChIKeyGHAGSNYSVHCZQI-JMUQELJHSA-N
XLogP4.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 15117237) is benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)C1=CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GHAGSNYSVHCZQI-JMUQELJHSA-N. The full InChI is InChI=1S/C26H38N2O5Si/c1-18(33-34(5,6)26(2,3)4)23-21(27-24(23)30)16-22(29)20-12-14-28(15-13-20)25(31)32-17-19-10-8-7-9-11-19/h7-12,18,21,23H,13-17H2,1-6H3,(H,27,30)/t18-,21-,23-/m1/s1.
What are the key properties of benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 486.69 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15117237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).