2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid

C19H31NO3Si — CID 154620555

IUPAC2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid
SMILESCC(C)(C[Si](C)(C)C(C)(C)C)/C(=N/OCC(=O)O)c1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-18(2,3)24(6,7)14-19(4,5)17(20-23-13-16(21)22)15-11-9-8-10-12-15/h8-12H,13-14H2,1-7H3,(H,21,22)/b20-17+
InChIKeyHLDQJVAPOLHIOI-LVZFUZTISA-N
MW349.55 g/mol
LogP5.03
Rot. Bonds7

About 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid

2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid (PubChem CID 154620555) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid
PubChem CID154620555
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid
SMILESCC(C)(C[Si](C)(C)C(C)(C)C)/C(=N/OCC(=O)O)c1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-18(2,3)24(6,7)14-19(4,5)17(20-23-13-16(21)22)15-11-9-8-10-12-15/h8-12H,13-14H2,1-7H3,(H,21,22)/b20-17+
InChIKeyHLDQJVAPOLHIOI-LVZFUZTISA-N
XLogP5.03
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid?
The IUPAC name of 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid (CID 154620555) is 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid is CC(C)(C[Si](C)(C)C(C)(C)C)/C(=N/OCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid?
The InChIKey is HLDQJVAPOLHIOI-LVZFUZTISA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-18(2,3)24(6,7)14-19(4,5)17(20-23-13-16(21)22)15-11-9-8-10-12-15/h8-12H,13-14H2,1-7H3,(H,21,22)/b20-17+.
What are the key properties of 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid?
2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid has a molecular weight of 349.55 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1-phenylpropylidene]amino]oxyacetic acid is sourced from PubChem (CID 154620555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).