2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid

C11H23NO4SSi — CID 23534251

IUPAC2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid
SMILESCO[Si](C)(C)CCCSCC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H23NO4SSi/c1-9(13)12-10(11(14)15)8-17-6-5-7-18(3,4)16-2/h10H,5-8H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyZNGXIPSOXKBLKW-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.55
Rot. Bonds9

About 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid

2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid (PubChem CID 23534251) has the molecular formula C11H23NO4SSi and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid
PubChem CID23534251
Molecular FormulaC11H23NO4SSi
Molecular Weight293.46 g/mol
Exact Mass293.11
IUPAC Name2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid
SMILESCO[Si](C)(C)CCCSCC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H23NO4SSi/c1-9(13)12-10(11(14)15)8-17-6-5-7-18(3,4)16-2/h10H,5-8H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyZNGXIPSOXKBLKW-UHFFFAOYSA-N
XLogP1.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-3-butylsulfanylpropanoic acid
CID 12018986
2-acetamido-3-[3-[dimethyl(phenyl)silyl]propylsulfanyl]propanoic acid
CID 91519028
(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
CID 12019090
(2R)-2-acetamido-3-tetradecylsulfanylpropanoic acid
CID 12019095
(2R)-2-acetamido-3-(3-ethoxypropylsulfanyl)propanoic acid
CID 107774697
(2S)-2-acetamido-3-propylsulfanylpropanoic acid
CID 71312782
(2R)-2-acetamido-3-(2-methylsulfonylethylsulfanyl)propanoic acid
CID 107774368
2-acetamido-3-(2-propoxyethylsulfanyl)propanoic acid
CID 106453126
(2R)-2-acetamido-3-[2-(dimethylamino)ethylsulfanyl]propanoic acid
CID 107774722
4-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-oxobutanoic acid
CID 20849151
(2R)-2-acetamido-3-(3-phenylpropylsulfanyl)propanoic acid
CID 107774425
sodium 2-acetamido-3-ethylsulfanylpropanoic acid
CID 170452671

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid (CID 23534251) is 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid is CO[Si](C)(C)CCCSCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid?
The InChIKey is ZNGXIPSOXKBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4SSi/c1-9(13)12-10(11(14)15)8-17-6-5-7-18(3,4)16-2/h10H,5-8H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid?
2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid has a molecular weight of 293.46 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid is sourced from PubChem (CID 23534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).