2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate

C10H21NO6SSi — CID 90763900

IUPAC2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate
SMILESCO[Si](CCOC(=O)[C@H](CS)NC(C)=O)(OC)OC
InChIInChI=1S/C10H21NO6SSi/c1-8(12)11-9(7-18)10(13)17-5-6-19(14-2,15-3)16-4/h9,18H,5-7H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKeyMUFKCUHFFDPRSI-VIFPVBQESA-N
MW311.43 g/mol
LogP-0.16
Rot. Bonds9

About 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate

2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate (PubChem CID 90763900) has the molecular formula C10H21NO6SSi and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate.

Molecular Properties

Compound Name2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate
PubChem CID90763900
Molecular FormulaC10H21NO6SSi
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC Name2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate
SMILESCO[Si](CCOC(=O)[C@H](CS)NC(C)=O)(OC)OC
InChIInChI=1S/C10H21NO6SSi/c1-8(12)11-9(7-18)10(13)17-5-6-19(14-2,15-3)16-4/h9,18H,5-7H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKeyMUFKCUHFFDPRSI-VIFPVBQESA-N
XLogP-0.16
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731
octyl 2-acetamido-3-sulfanylpropanoate
CID 75292998
1-methoxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263817
2-trimethoxysilylethyl 2-methylpropanoate
CID 59172701
3-phenylpropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775756
phosphono (2R)-2-acetamido-3-sulfanylpropanoate
CID 174794076
[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
CID 170446459
2-hydroxypropanoyl 2-acetamido-3-sulfanylpropaneperoxoate
CID 138986918
[(2R)-4-methyl-3-oxopentan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
CID 159000199
1-propan-2-yloxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263944
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate?
The IUPAC name of 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate (CID 90763900) is 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate.
What is the SMILES notation for 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate?
The canonical SMILES for 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate is CO[Si](CCOC(=O)[C@H](CS)NC(C)=O)(OC)OC.
What is the InChIKey of 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate?
The InChIKey is MUFKCUHFFDPRSI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO6SSi/c1-8(12)11-9(7-18)10(13)17-5-6-19(14-2,15-3)16-4/h9,18H,5-7H2,1-4H3,(H,11,12)/t9-/m0/s1.
What are the key properties of 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate?
2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate has a molecular weight of 311.43 g/mol, XLogP of -0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate is sourced from PubChem (CID 90763900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).