[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate

C15H29NO4Si — CID 67692505

IUPAC[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO4Si/c1-9(2)14(18)19-13-11(12(17)16-13)10(3)20-21(7,8)15(4,5)6/h9-11,13H,1-8H3,(H,16,17)/t10-,11+,13-/m1/s1
InChIKeyJKWWCMSTUZYMTP-NTZNESFSSA-N
MW315.49 g/mol
LogP2.67
Rot. Bonds5

About [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate

[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate (PubChem CID 67692505) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
PubChem CID67692505
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Name[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO4Si/c1-9(2)14(18)19-13-11(12(17)16-13)10(3)20-21(7,8)15(4,5)6/h9-11,13H,1-8H3,(H,16,17)/t10-,11+,13-/m1/s1
InChIKeyJKWWCMSTUZYMTP-NTZNESFSSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate?
The IUPAC name of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate (CID 67692505) is [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate.
What is the SMILES notation for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate?
The canonical SMILES for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate?
The InChIKey is JKWWCMSTUZYMTP-NTZNESFSSA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-9(2)14(18)19-13-11(12(17)16-13)10(3)20-21(7,8)15(4,5)6/h9-11,13H,1-8H3,(H,16,17)/t10-,11+,13-/m1/s1.
What are the key properties of [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate?
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate has a molecular weight of 315.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate is sourced from PubChem (CID 67692505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).