methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate

C23H35NO5Si — CID 57174193

IUPACmethyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C23H35NO5Si/c1-15(2)30(16(3)4,17(5)6)29-22-21(18-11-9-8-10-12-18)24(23(22)27)19(25)13-14-20(26)28-7/h8-12,15-17,21-22H,13-14H2,1-7H3/t21-,22+/m0/s1
InChIKeyWTCAYTYVXUBVNV-FCHUYYIVSA-N
MW433.62 g/mol
LogP4.61
Rot. Bonds9

About methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate

methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate (PubChem CID 57174193) has the molecular formula C23H35NO5Si and a molecular weight of 433.62 g/mol. Its IUPAC name is methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate
PubChem CID57174193
Molecular FormulaC23H35NO5Si
Molecular Weight433.62 g/mol
Exact Mass433.23
IUPAC Namemethyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C23H35NO5Si/c1-15(2)30(16(3)4,17(5)6)29-22-21(18-11-9-8-10-12-18)24(23(22)27)19(25)13-14-20(26)28-7/h8-12,15-17,21-22H,13-14H2,1-7H3/t21-,22+/m0/s1
InChIKeyWTCAYTYVXUBVNV-FCHUYYIVSA-N
XLogP4.61
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.61
H-Bond Donors ≤ 50
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 methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate?
The IUPAC name of methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate (CID 57174193) is methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate?
The canonical SMILES for methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate is COC(=O)CCC(=O)N1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1c1ccccc1.
What is the InChIKey of methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate?
The InChIKey is WTCAYTYVXUBVNV-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H35NO5Si/c1-15(2)30(16(3)4,17(5)6)29-22-21(18-11-9-8-10-12-18)24(23(22)27)19(25)13-14-20(26)28-7/h8-12,15-17,21-22H,13-14H2,1-7H3/t21-,22+/m0/s1.
What are the key properties of methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate?
methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate has a molecular weight of 433.62 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[(3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanoate is sourced from PubChem (CID 57174193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).