2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid

C19H25NO2SSi — CID 91484655

IUPAC2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid
SMILESC[Si](CCCSCC(N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO2SSi/c1-24(16-9-4-2-5-10-16,17-11-6-3-7-12-17)14-8-13-23-15-18(20)19(21)22/h2-7,9-12,18H,8,13-15,20H2,1H3,(H,21,22)
InChIKeyOKEITVUIWYOWSP-UHFFFAOYSA-N
MW359.57 g/mol
LogP2.41
Rot. Bonds9

About 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid

2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid (PubChem CID 91484655) has the molecular formula C19H25NO2SSi and a molecular weight of 359.57 g/mol. Its IUPAC name is 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid
PubChem CID91484655
Molecular FormulaC19H25NO2SSi
Molecular Weight359.57 g/mol
Exact Mass359.14
IUPAC Name2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid
SMILESC[Si](CCCSCC(N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO2SSi/c1-24(16-9-4-2-5-10-16,17-11-6-3-7-12-17)14-8-13-23-15-18(20)19(21)22/h2-7,9-12,18H,8,13-15,20H2,1H3,(H,21,22)
InChIKeyOKEITVUIWYOWSP-UHFFFAOYSA-N
XLogP2.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid
CID 25120940
2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid
CID 91502795
(2R)-2-amino-3-[methyl(diphenyl)silyl]propanoic acid
CID 10379208
2-amino-3-(4-phenylbutylsulfanyl)propanoic acid
CID 114333733
(2R)-2-acetamido-3-[4-[dimethyl(phenyl)silyl]butylsulfanyl]propanoic acid;(2R)-2-acetamido-3-[4-[methyl(diphenyl)silyl]butylsulfanyl]propanoic acid;(2R)-2-acetamido-3-(4-triphenylsilylbutylsulfanyl)propanoic acid
CID 160610495
2-acetamido-3-[3-[dimethyl(phenyl)silyl]propylsulfanyl]propanoic acid
CID 91519028
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
CID 15813262
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
(2R)-2-amino-3-(3-anilino-3-oxopropyl)sulfanylpropanoic acid
CID 61142275
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
2-amino-3-(5-hydroxypentylsulfanyl)propanoic acid
CID 14676649

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid (CID 91484655) is 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid is C[Si](CCCSCC(N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid?
The InChIKey is OKEITVUIWYOWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2SSi/c1-24(16-9-4-2-5-10-16,17-11-6-3-7-12-17)14-8-13-23-15-18(20)19(21)22/h2-7,9-12,18H,8,13-15,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid?
2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid has a molecular weight of 359.57 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid is sourced from PubChem (CID 91484655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).