methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate

C8H17NO5S — CID 78959529

IUPACmethyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-13-7-6-9(15(3,11)12)5-4-8(10)14-2/h4-7H2,1-3H3
InChIKeyLYRYYGCKCZDPQG-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.54
Rot. Bonds7

About methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate

methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate (PubChem CID 78959529) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
PubChem CID78959529
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)S(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-13-7-6-9(15(3,11)12)5-4-8(10)14-2/h4-7H2,1-3H3
InChIKeyLYRYYGCKCZDPQG-UHFFFAOYSA-N
XLogP-0.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
N-[2-(dimethylamino)ethyl]-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137638
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
CID 78959599
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533310
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533331
N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137809
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113137715

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate (CID 78959529) is methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate is COCCN(CCC(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate?
The InChIKey is LYRYYGCKCZDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-13-7-6-9(15(3,11)12)5-4-8(10)14-2/h4-7H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate?
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate has a molecular weight of 239.29 g/mol, XLogP of -0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate is sourced from PubChem (CID 78959529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).