(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid

C24H27NO2SSi — CID 25120940

IUPAC(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid
SMILESN[C@@H](CSCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H27NO2SSi/c25-23(24(26)27)19-28-17-10-18-29(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19,25H2,(H,26,27)/t23-/m0/s1
InChIKeyWBYFOGWRLDINMR-QHCPKHFHSA-N
MW421.64 g/mol
LogP2.69
Rot. Bonds10

About (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid

(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid (PubChem CID 25120940) has the molecular formula C24H27NO2SSi and a molecular weight of 421.64 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid
PubChem CID25120940
Molecular FormulaC24H27NO2SSi
Molecular Weight421.64 g/mol
Exact Mass421.15
IUPAC Name(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid
SMILESN[C@@H](CSCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H27NO2SSi/c25-23(24(26)27)19-28-17-10-18-29(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19,25H2,(H,26,27)/t23-/m0/s1
InChIKeyWBYFOGWRLDINMR-QHCPKHFHSA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.64
LogP ≤ 52.69
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

2-amino-3-(4-triphenylsilylbutylsulfanyl)propanoic acid
CID 91502795
2-amino-3-[3-[methyl(diphenyl)silyl]propylsulfanyl]propanoic acid
CID 91484655
2-amino-3-(4-phenylbutylsulfanyl)propanoic acid
CID 114333733
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
CID 15813262
(2R)-2-amino-3-(3-anilino-3-oxopropyl)sulfanylpropanoic acid
CID 61142275
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
(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-amino-3-(5-hydroxypentylsulfanyl)propanoic acid
CID 14676649
(2R)-2-amino-3-(6-hydroxyhexylsulfanyl)propanoic acid
CID 14676652
2-acetamido-3-[3-[dimethyl(phenyl)silyl]propylsulfanyl]propanoic acid
CID 91519028
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid (CID 25120940) is (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid is N[C@@H](CSCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid?
The InChIKey is WBYFOGWRLDINMR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27NO2SSi/c25-23(24(26)27)19-28-17-10-18-29(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19,25H2,(H,26,27)/t23-/m0/s1.
What are the key properties of (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid?
(2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid has a molecular weight of 421.64 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-triphenylsilylpropylsulfanyl)propanoic acid is sourced from PubChem (CID 25120940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).