propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate

C19H35NO4Si — CID 54385763

IUPACpropan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)C)[C@H]1C1CCCCC1
InChIInChI=1S/C19H35NO4Si/c1-6-25(7-2,8-3)24-17-16(15-12-10-9-11-13-15)20(18(17)21)19(22)23-14(4)5/h14-17H,6-13H2,1-5H3/t16-,17+/m0/s1
InChIKeyVDCXVTFNWAPHMP-DLBZAZTESA-N
MW369.58 g/mol
LogP4.71
Rot. Bonds7

About propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate

propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate (PubChem CID 54385763) has the molecular formula C19H35NO4Si and a molecular weight of 369.58 g/mol. Its IUPAC name is propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
PubChem CID54385763
Molecular FormulaC19H35NO4Si
Molecular Weight369.58 g/mol
Exact Mass369.23
IUPAC Namepropan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)C)[C@H]1C1CCCCC1
InChIInChI=1S/C19H35NO4Si/c1-6-25(7-2,8-3)24-17-16(15-12-10-9-11-13-15)20(18(17)21)19(22)23-14(4)5/h14-17H,6-13H2,1-5H3/t16-,17+/m0/s1
InChIKeyVDCXVTFNWAPHMP-DLBZAZTESA-N
XLogP4.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.71
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 (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate (CID 54385763) is propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate is CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)C)[C@H]1C1CCCCC1.
What is the InChIKey of propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The InChIKey is VDCXVTFNWAPHMP-DLBZAZTESA-N. The full InChI is InChI=1S/C19H35NO4Si/c1-6-25(7-2,8-3)24-17-16(15-12-10-9-11-13-15)20(18(17)21)19(22)23-14(4)5/h14-17H,6-13H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate has a molecular weight of 369.58 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 54385763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).