2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid

C15H29NO4Si — CID 12810778

IUPAC2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid
SMILESCC(O)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)(C)C(=O)O
InChIInChI=1S/C15H29NO4Si/c1-9(17)10-11(15(5,6)13(19)20)16(12(10)18)21(7,8)14(2,3)4/h9-11,17H,1-8H3,(H,19,20)
InChIKeyOMDBQFDQRKTOGK-UHFFFAOYSA-N
MW315.49 g/mol
LogP2.31
Rot. Bonds4

About 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid

2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid (PubChem CID 12810778) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid
PubChem CID12810778
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid
SMILESCC(O)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)(C)C(=O)O
InChIInChI=1S/C15H29NO4Si/c1-9(17)10-11(15(5,6)13(19)20)16(12(10)18)21(7,8)14(2,3)4/h9-11,17H,1-8H3,(H,19,20)
InChIKeyOMDBQFDQRKTOGK-UHFFFAOYSA-N
XLogP2.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid (CID 12810778) is 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid is CC(O)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid?
The InChIKey is OMDBQFDQRKTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-9(17)10-11(15(5,6)13(19)20)16(12(10)18)21(7,8)14(2,3)4/h9-11,17H,1-8H3,(H,19,20).
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid?
2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid has a molecular weight of 315.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 12810778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).