(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one

C20H31NO3Si — CID 44550582

IUPAC(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C20H31NO3Si/c1-15(24-25(5,6)20(2,3)4)17-14-21(19(17)23)18(22)13-12-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t15-,17+/m1/s1
InChIKeyUXXGNRCYNKBVPO-WBVHZDCISA-N
MW361.56 g/mol
LogP4.01
Rot. Bonds6

About (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one

(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one (PubChem CID 44550582) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
PubChem CID44550582
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Name(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C20H31NO3Si/c1-15(24-25(5,6)20(2,3)4)17-14-21(19(17)23)18(22)13-12-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t15-,17+/m1/s1
InChIKeyUXXGNRCYNKBVPO-WBVHZDCISA-N
XLogP4.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 5-phenylpentanoate
CID 44550951
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
[(1R)-1-[(3S)-2-oxo-1-(4-phenylbutanoyl)azetidin-3-yl]ethyl] 2-(4-phenylphenyl)acetate
CID 44549113
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
[(1R)-1-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]ethyl] 2-phenylmethoxyacetate
CID 71575479
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-oxo-9-phenylnonanal
CID 139258405
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
The IUPAC name of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one (CID 44550582) is (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
The InChIKey is UXXGNRCYNKBVPO-WBVHZDCISA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-15(24-25(5,6)20(2,3)4)17-14-21(19(17)23)18(22)13-12-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t15-,17+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one has a molecular weight of 361.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one is sourced from PubChem (CID 44550582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).