6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C15H25NO4Si — CID 77356164

IUPAC6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)O)=CCC12
InChIInChI=1S/C15H25NO4Si/c1-9(20-21(5,6)15(2,3)4)12-10-7-8-11(14(18)19)16(10)13(12)17/h8-10,12H,7H2,1-6H3,(H,18,19)
InChIKeyGZXUIXQRNMIKNM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.60
Rot. Bonds4

About 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 77356164) has the molecular formula C15H25NO4Si and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID77356164
Molecular FormulaC15H25NO4Si
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)O)=CCC12
InChIInChI=1S/C15H25NO4Si/c1-9(20-21(5,6)15(2,3)4)12-10-7-8-11(14(18)19)16(10)13(12)17/h8-10,12H,7H2,1-6H3,(H,18,19)
InChIKeyGZXUIXQRNMIKNM-UHFFFAOYSA-N
XLogP2.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 77356164) is 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N2C(C(=O)O)=CCC12.
What is the InChIKey of 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is GZXUIXQRNMIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4Si/c1-9(20-21(5,6)15(2,3)4)12-10-7-8-11(14(18)19)16(10)13(12)17/h8-10,12H,7H2,1-6H3,(H,18,19).
What are the key properties of 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 311.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 77356164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).