2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate

C12H23NO6S — CID 107770080

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
SMILESCOCCOCCOCCOC(=O)C(CS)NC(C)=O
InChIInChI=1S/C12H23NO6S/c1-10(14)13-11(9-20)12(15)19-8-7-18-6-5-17-4-3-16-2/h11,20H,3-9H2,1-2H3,(H,13,14)
InChIKeyFDOUFLNWDPIZRD-UHFFFAOYSA-N
MW309.38 g/mol
LogP-0.36
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate (PubChem CID 107770080) has the molecular formula C12H23NO6S and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
PubChem CID107770080
Molecular FormulaC12H23NO6S
Molecular Weight309.38 g/mol
Exact Mass309.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
SMILESCOCCOCCOCCOC(=O)C(CS)NC(C)=O
InChIInChI=1S/C12H23NO6S/c1-10(14)13-11(9-20)12(15)19-8-7-18-6-5-17-4-3-16-2/h11,20H,3-9H2,1-2H3,(H,13,14)
InChIKeyFDOUFLNWDPIZRD-UHFFFAOYSA-N
XLogP-0.36
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731
2-trimethoxysilylethyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 90763900
octyl 2-acetamido-3-sulfanylpropanoate
CID 75292998
1-methoxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263817
phosphono (2R)-2-acetamido-3-sulfanylpropanoate
CID 174794076
[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
CID 170446459
3-phenylpropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775756
[(2R)-4-methyl-3-oxopentan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
CID 159000199
1-propan-2-yloxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263944
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107769824
N-(1-phosphanyl-3-sulfanyl-1-sulfanylidenepropan-2-yl)acetamide
CID 89034866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate (CID 107770080) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate is COCCOCCOCCOC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate?
The InChIKey is FDOUFLNWDPIZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6S/c1-10(14)13-11(9-20)12(15)19-8-7-18-6-5-17-4-3-16-2/h11,20H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate has a molecular weight of 309.38 g/mol, XLogP of -0.36, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate is sourced from PubChem (CID 107770080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).