2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid

C25H29NO2SSi — CID 91502795

IUPAC2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid
SMILESNC(CSCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H29NO2SSi/c26-24(25(27)28)20-29-18-10-11-19-30(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20,26H2,(H,27,28)
InChIKeyOEABDXCBYVMPNB-UHFFFAOYSA-N
MW435.67 g/mol
LogP3.08
Rot. Bonds11

About 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid

2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid (PubChem CID 91502795) has the molecular formula C25H29NO2SSi and a molecular weight of 435.67 g/mol. Its IUPAC name is 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid
PubChem CID91502795
Molecular FormulaC25H29NO2SSi
Molecular Weight435.67 g/mol
Exact Mass435.17
IUPAC Name2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid
SMILESNC(CSCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H29NO2SSi/c26-24(25(27)28)20-29-18-10-11-19-30(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20,26H2,(H,27,28)
InChIKeyOEABDXCBYVMPNB-UHFFFAOYSA-N
XLogP3.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.67
LogP ≤ 53.08
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid
CID 25120940
2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid
CID 91484655
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
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
2-amino-3-(5-hydroxypentylsulfanyl)propanoic acid
CID 14676649
(2R)-2-amino-3-(6-hydroxyhexylsulfanyl)propanoic acid
CID 14676652
(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
(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897240

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid (CID 91502795) is 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid is NC(CSCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid?
The InChIKey is OEABDXCBYVMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2SSi/c26-24(25(27)28)20-29-18-10-11-19-30(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20,26H2,(H,27,28).
What are the key properties of 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid?
2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid has a molecular weight of 435.67 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid is sourced from PubChem (CID 91502795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).