(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one

C19H32N2O3Si — CID 122221433

IUPAC(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OCCCc1ccncc1
InChIInChI=1S/C19H32N2O3Si/c1-14(24-25(5,6)19(2,3)4)16-17(22)21-18(16)23-13-7-8-15-9-11-20-12-10-15/h9-12,14,16,18H,7-8,13H2,1-6H3,(H,21,22)/t14-,16-,18+/m0/s1
InChIKeyALNGHTUVBFSGEQ-QILLFSRXSA-N
MW364.56 g/mol
LogP3.51
Rot. Bonds8

About (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one

(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one (PubChem CID 122221433) has the molecular formula C19H32N2O3Si and a molecular weight of 364.56 g/mol. Its IUPAC name is (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one
PubChem CID122221433
Molecular FormulaC19H32N2O3Si
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OCCCc1ccncc1
InChIInChI=1S/C19H32N2O3Si/c1-14(24-25(5,6)19(2,3)4)16-17(22)21-18(16)23-13-7-8-15-9-11-20-12-10-15/h9-12,14,16,18H,7-8,13H2,1-6H3,(H,21,22)/t14-,16-,18+/m0/s1
InChIKeyALNGHTUVBFSGEQ-QILLFSRXSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
CID 67642904
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-phenylbutanoate
CID 15678041
(3S,4R)-4-benzylselanyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 11165439
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(iodomethyl)azetidin-2-one
CID 13073914
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-methylprop-2-enyl)azetidin-2-one
CID 100963871
(3R,4S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-phenylsulfanylethynyl)azetidin-2-one
CID 54544109
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one
CID 10709586
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
tert-butyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]benzoate;[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 160640443
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tert-butylsulfonylazetidin-2-one
CID 67931664

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one?
The IUPAC name of (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one (CID 122221433) is (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1OCCCc1ccncc1.
What is the InChIKey of (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one?
The InChIKey is ALNGHTUVBFSGEQ-QILLFSRXSA-N. The full InChI is InChI=1S/C19H32N2O3Si/c1-14(24-25(5,6)19(2,3)4)16-17(22)21-18(16)23-13-7-8-15-9-11-20-12-10-15/h9-12,14,16,18H,7-8,13H2,1-6H3,(H,21,22)/t14-,16-,18+/m0/s1.
What are the key properties of (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one?
(3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one has a molecular weight of 364.56 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-pyridin-4-ylpropoxy)azetidin-2-one is sourced from PubChem (CID 122221433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).