(3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid

C9H17NO5Si — CID 91749607

IUPAC(3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H17NO5Si/c1-6(11)10-7(5-8(12)13)9(14)15-16(2,3)4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyGKHAZESASWIRPG-ZETCQYMHSA-N
MW247.32 g/mol
LogP0.34
Rot. Bonds5

About (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid

(3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid (PubChem CID 91749607) has the molecular formula C9H17NO5Si and a molecular weight of 247.32 g/mol. Its IUPAC name is (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid.

Molecular Properties

Compound Name(3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid
PubChem CID91749607
Molecular FormulaC9H17NO5Si
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H17NO5Si/c1-6(11)10-7(5-8(12)13)9(14)15-16(2,3)4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyGKHAZESASWIRPG-ZETCQYMHSA-N
XLogP0.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic 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 (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid?
The IUPAC name of (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid (CID 91749607) is (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid.
What is the SMILES notation for (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid?
The canonical SMILES for (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid is CC(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C.
What is the InChIKey of (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid?
The InChIKey is GKHAZESASWIRPG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO5Si/c1-6(11)10-7(5-8(12)13)9(14)15-16(2,3)4/h7H,5H2,1-4H3,(H,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid?
(3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid has a molecular weight of 247.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-4-oxo-4-trimethylsilyloxybutanoic acid is sourced from PubChem (CID 91749607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).