3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one

C24H36N2O5Si — CID 10004449

IUPAC3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1C(=O)c2ccccc2OC1(C)C
InChIInChI=1S/C24H36N2O5Si/c1-14(19-18(20(27)25-19)15(2)31-32(8,9)23(3,4)5)21(28)26-22(29)16-12-10-11-13-17(16)30-24(26,6)7/h10-15,18-19H,1-9H3,(H,25,27)/t14-,15-,18-,19-/m1/s1
InChIKeyLPQPJRGOJUCTRP-OHDICMOHSA-N
MW460.65 g/mol
LogP3.94
Rot. Bonds5

About 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one

3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one (PubChem CID 10004449) has the molecular formula C24H36N2O5Si and a molecular weight of 460.65 g/mol. Its IUPAC name is 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one
PubChem CID10004449
Molecular FormulaC24H36N2O5Si
Molecular Weight460.65 g/mol
Exact Mass460.24
IUPAC Name3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1C(=O)c2ccccc2OC1(C)C
InChIInChI=1S/C24H36N2O5Si/c1-14(19-18(20(27)25-19)15(2)31-32(8,9)23(3,4)5)21(28)26-22(29)16-12-10-11-13-17(16)30-24(26,6)7/h10-15,18-19H,1-9H3,(H,25,27)/t14-,15-,18-,19-/m1/s1
InChIKeyLPQPJRGOJUCTRP-OHDICMOHSA-N
XLogP3.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one?
The IUPAC name of 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one (CID 10004449) is 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one.
What is the SMILES notation for 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one?
The canonical SMILES for 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1C(=O)c2ccccc2OC1(C)C.
What is the InChIKey of 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one?
The InChIKey is LPQPJRGOJUCTRP-OHDICMOHSA-N. The full InChI is InChI=1S/C24H36N2O5Si/c1-14(19-18(20(27)25-19)15(2)31-32(8,9)23(3,4)5)21(28)26-22(29)16-12-10-11-13-17(16)30-24(26,6)7/h10-15,18-19H,1-9H3,(H,25,27)/t14-,15-,18-,19-/m1/s1.
What are the key properties of 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one?
3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one has a molecular weight of 460.65 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2,2-dimethyl-1,3-benzoxazin-4-one is sourced from PubChem (CID 10004449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).