(3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

C17H25NO4Si — CID 173195102

IUPAC(3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESCOc1cccc(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C)c1
InChIInChI=1S/C17H25NO4Si/c1-11(22-23(3,4)5)16-14(18-17(16)20)10-15(19)12-7-6-8-13(9-12)21-2/h6-9,11,14,16H,10H2,1-5H3,(H,18,20)/t11-,14-,16-/m1/s1
InChIKeyGUADTBXKQIKNAN-DJSGYFEHSA-N
MW335.48 g/mol
LogP2.62
Rot. Bonds7

About (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

(3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (PubChem CID 173195102) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
PubChem CID173195102
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Name(3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESCOc1cccc(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C)c1
InChIInChI=1S/C17H25NO4Si/c1-11(22-23(3,4)5)16-14(18-17(16)20)10-15(19)12-7-6-8-13(9-12)21-2/h6-9,11,14,16H,10H2,1-5H3,(H,18,20)/t11-,14-,16-/m1/s1
InChIKeyGUADTBXKQIKNAN-DJSGYFEHSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]methyl N-tert-butylcarbamate
CID 69411563
5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one
CID 59008973
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(3E)-3-methoxyimino-2-oxo-3-phenylpropyl]azetidin-2-one
CID 10525292
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone
CID 174473537
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (CID 173195102) is (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is COc1cccc(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C)c1.
What is the InChIKey of (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The InChIKey is GUADTBXKQIKNAN-DJSGYFEHSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-11(22-23(3,4)5)16-14(18-17(16)20)10-15(19)12-7-6-8-13(9-12)21-2/h6-9,11,14,16H,10H2,1-5H3,(H,18,20)/t11-,14-,16-/m1/s1.
What are the key properties of (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
(3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one has a molecular weight of 335.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is sourced from PubChem (CID 173195102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).