3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one

C17H29N3O3Si — CID 58434557

IUPAC3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C1C(=O)NC1[C@@H](C)C(=O)n1ccnc1
InChIInChI=1S/C17H29N3O3Si/c1-11(16(22)20-9-8-18-10-20)14-13(15(21)19-14)12(2)23-24(6,7)17(3,4)5/h8-14H,1-7H3,(H,19,21)/t11-,12-,13?,14?/m1/s1
InChIKeyPVRZROQJCDGVMZ-IWMBGFJWSA-N
MW351.52 g/mol
LogP2.68
Rot. Bonds5

About 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one

3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one (PubChem CID 58434557) has the molecular formula C17H29N3O3Si and a molecular weight of 351.52 g/mol. Its IUPAC name is 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one
PubChem CID58434557
Molecular FormulaC17H29N3O3Si
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C1C(=O)NC1[C@@H](C)C(=O)n1ccnc1
InChIInChI=1S/C17H29N3O3Si/c1-11(16(22)20-9-8-18-10-20)14-13(15(21)19-14)12(2)23-24(6,7)17(3,4)5/h8-14H,1-7H3,(H,19,21)/t11-,12-,13?,14?/m1/s1
InChIKeyPVRZROQJCDGVMZ-IWMBGFJWSA-N
XLogP2.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
CID 58434553
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]azetidin-2-one
CID 11111393
ethyl (E,4R)-4-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,3-diiodopent-2-enoate
CID 102519854
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(4,6-dithia-1-azabicyclo[3.1.0]hexan-5-yl)-1-oxopropan-2-yl]azetidin-2-one
CID 57099035
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(4-methyl-2-pyridinyl)-1-sulfanylidenepropan-2-yl]azetidin-2-one
CID 57291982
(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 139889898
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4,4-dimethylpent-1-yn-3-yl)azetidin-2-one
CID 101437016
2,2-dimethylpropanoyloxymethyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate
CID 90726980
methyl 5-[2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-oxo-3-phenyl-1-oxa-5-azaspiro[5.5]undec-2-ene-2-carboxylate
CID 20760826
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl] acetate
CID 19591321

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one?
The IUPAC name of 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one (CID 58434557) is 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one.
What is the SMILES notation for 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one?
The canonical SMILES for 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)C1C(=O)NC1[C@@H](C)C(=O)n1ccnc1.
What is the InChIKey of 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one?
The InChIKey is PVRZROQJCDGVMZ-IWMBGFJWSA-N. The full InChI is InChI=1S/C17H29N3O3Si/c1-11(16(22)20-9-8-18-10-20)14-13(15(21)19-14)12(2)23-24(6,7)17(3,4)5/h8-14H,1-7H3,(H,19,21)/t11-,12-,13?,14?/m1/s1.
What are the key properties of 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one?
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one has a molecular weight of 351.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-imidazol-1-yl-1-oxopropan-2-yl]azetidin-2-one is sourced from PubChem (CID 58434557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).