propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate

C22H34FNO4Si — CID 68945152

IUPACpropan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
SMILESCC(C)OC(=O)N1C(=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1c1ccccc1F
InChIInChI=1S/C22H34FNO4Si/c1-13(2)27-22(26)24-19(17-11-9-10-12-18(17)23)20(21(24)25)28-29(14(3)4,15(5)6)16(7)8/h9-16,19-20H,1-8H3/t19-,20+/m1/s1
InChIKeySIYRWQWBLYLMGE-UXHICEINSA-N
MW423.60 g/mol
LogP5.81
Rot. Bonds7

About propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate

propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate (PubChem CID 68945152) has the molecular formula C22H34FNO4Si and a molecular weight of 423.60 g/mol. Its IUPAC name is propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
PubChem CID68945152
Molecular FormulaC22H34FNO4Si
Molecular Weight423.60 g/mol
Exact Mass423.22
IUPAC Namepropan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
SMILESCC(C)OC(=O)N1C(=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1c1ccccc1F
InChIInChI=1S/C22H34FNO4Si/c1-13(2)27-22(26)24-19(17-11-9-10-12-18(17)23)20(21(24)25)28-29(14(3)4,15(5)6)16(7)8/h9-16,19-20H,1-8H3/t19-,20+/m1/s1
InChIKeySIYRWQWBLYLMGE-UXHICEINSA-N
XLogP5.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The IUPAC name of propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate (CID 68945152) is propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate is CC(C)OC(=O)N1C(=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1c1ccccc1F.
What is the InChIKey of propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The InChIKey is SIYRWQWBLYLMGE-UXHICEINSA-N. The full InChI is InChI=1S/C22H34FNO4Si/c1-13(2)27-22(26)24-19(17-11-9-10-12-18(17)23)20(21(24)25)28-29(14(3)4,15(5)6)16(7)8/h9-16,19-20H,1-8H3/t19-,20+/m1/s1.
What are the key properties of propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate has a molecular weight of 423.60 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3S)-2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate is sourced from PubChem (CID 68945152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).