(3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid

C20H27NO3Si — CID 56646881

IUPAC(3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid
SMILESCC(C)(C)[Si](OC[C@@H](N)CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16(21)14-19(22)23/h4-13,16H,14-15,21H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyUEGWIDQMYIKZCP-INIZCTEOSA-N
MW357.53 g/mol
LogP2.37
Rot. Bonds7

About (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid

(3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid (PubChem CID 56646881) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid
PubChem CID56646881
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Name(3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid
SMILESCC(C)(C)[Si](OC[C@@H](N)CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16(21)14-19(22)23/h4-13,16H,14-15,21H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyUEGWIDQMYIKZCP-INIZCTEOSA-N
XLogP2.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic 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-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The IUPAC name of (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid (CID 56646881) is (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The canonical SMILES for (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid is CC(C)(C)[Si](OC[C@@H](N)CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The InChIKey is UEGWIDQMYIKZCP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16(21)14-19(22)23/h4-13,16H,14-15,21H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
(3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid has a molecular weight of 357.53 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[tert-butyl(diphenyl)silyl]oxybutanoic acid is sourced from PubChem (CID 56646881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).