2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid

C22H32N2O5Si — CID 173208355

IUPAC2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid
SMILESCC(=O)N1C=C(c2ccccc2)N(CC(=O)O)C(=O)C1C(C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C22H32N2O5Si/c1-15(25)23-13-17(16-11-9-8-10-12-16)24(14-18(26)27)20(28)19(23)22(5,21(2,3)4)29-30(6)7/h8-13,19,30H,14H2,1-7H3,(H,26,27)
InChIKeyPAQMSBRSPHSUJS-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid

2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid (PubChem CID 173208355) has the molecular formula C22H32N2O5Si and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid
PubChem CID173208355
Molecular FormulaC22H32N2O5Si
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid
SMILESCC(=O)N1C=C(c2ccccc2)N(CC(=O)O)C(=O)C1C(C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C22H32N2O5Si/c1-15(25)23-13-17(16-11-9-8-10-12-16)24(14-18(26)27)20(28)19(23)22(5,21(2,3)4)29-30(6)7/h8-13,19,30H,14H2,1-7H3,(H,26,27)
InChIKeyPAQMSBRSPHSUJS-UHFFFAOYSA-N
XLogP2.93
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.93
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 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid?
The IUPAC name of 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid (CID 173208355) is 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid?
The canonical SMILES for 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid is CC(=O)N1C=C(c2ccccc2)N(CC(=O)O)C(=O)C1C(C)(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid?
The InChIKey is PAQMSBRSPHSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5Si/c1-15(25)23-13-17(16-11-9-8-10-12-16)24(14-18(26)27)20(28)19(23)22(5,21(2,3)4)29-30(6)7/h8-13,19,30H,14H2,1-7H3,(H,26,27).
What are the key properties of 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid?
2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid has a molecular weight of 432.59 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-2-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid is sourced from PubChem (CID 173208355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).