(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one

C17H30N2O3Si — CID 142637293

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one
SMILESC[C@H](Cc1ccon1)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30N2O3Si/c1-11(10-13-8-9-21-19-13)15-14(16(20)18-15)12(2)22-23(6,7)17(3,4)5/h8-9,11-12,14-15H,10H2,1-7H3,(H,18,20)/t11-,12-,14-,15-/m1/s1
InChIKeyMULYNFGIPWHPEO-QHSBEEBCSA-N
MW338.52 g/mol
LogP3.38
Rot. Bonds6

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

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one (PubChem CID 142637293) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one
PubChem CID142637293
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one
SMILESC[C@H](Cc1ccon1)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30N2O3Si/c1-11(10-13-8-9-21-19-13)15-14(16(20)18-15)12(2)22-23(6,7)17(3,4)5/h8-9,11-12,14-15H,10H2,1-7H3,(H,18,20)/t11-,12-,14-,15-/m1/s1
InChIKeyMULYNFGIPWHPEO-QHSBEEBCSA-N
XLogP3.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.38
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

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4,4-dimethylpent-1-yn-3-yl)azetidin-2-one
CID 101437016
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(iodomethyl)azetidin-2-one
CID 13073914
phenyl (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanedithioate
CID 57126235
(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
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
2-[(2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]but-3-enoxy]propanoic acid
CID 139631668
(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
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-phenylmethoxypent-3-yn-2-yl)azetidin-2-one
CID 101437022
(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
[iodo(phenyl)methyl] (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 70457954

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one (CID 142637293) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one is C[C@H](Cc1ccon1)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one?
The InChIKey is MULYNFGIPWHPEO-QHSBEEBCSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-11(10-13-8-9-21-19-13)15-14(16(20)18-15)12(2)22-23(6,7)17(3,4)5/h8-9,11-12,14-15H,10H2,1-7H3,(H,18,20)/t11-,12-,14-,15-/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one has a molecular weight of 338.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(1,2-oxazol-3-yl)propan-2-yl]azetidin-2-one is sourced from PubChem (CID 142637293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).