4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid

C11H25NO3Si — CID 87122185

IUPAC4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
SMILESCC(CC(=O)O)C(N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NO3Si/c1-8(7-9(13)14)10(12)15-16(5,6)11(2,3)4/h8,10H,7,12H2,1-6H3,(H,13,14)
InChIKeyBNQKJBGPEPOGKP-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.40
Rot. Bonds5

About 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid

4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid (PubChem CID 87122185) has the molecular formula C11H25NO3Si and a molecular weight of 247.41 g/mol. Its IUPAC name is 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
PubChem CID87122185
Molecular FormulaC11H25NO3Si
Molecular Weight247.41 g/mol
Exact Mass247.16
IUPAC Name4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
SMILESCC(CC(=O)O)C(N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NO3Si/c1-8(7-9(13)14)10(12)15-16(5,6)11(2,3)4/h8,10H,7,12H2,1-6H3,(H,13,14)
InChIKeyBNQKJBGPEPOGKP-UHFFFAOYSA-N
XLogP2.40
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
The IUPAC name of 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid (CID 87122185) is 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid.
What is the SMILES notation for 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
The canonical SMILES for 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid is CC(CC(=O)O)C(N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
The InChIKey is BNQKJBGPEPOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3Si/c1-8(7-9(13)14)10(12)15-16(5,6)11(2,3)4/h8,10H,7,12H2,1-6H3,(H,13,14).
What are the key properties of 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid has a molecular weight of 247.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid is sourced from PubChem (CID 87122185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).