ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate

C9H17NO5S — CID 61342746

IUPACethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CS(C)(=O)=O
InChIInChI=1S/C9H17NO5S/c1-4-10(6-9(12)15-5-2)8(11)7-16(3,13)14/h4-7H2,1-3H3
InChIKeyNTPDYFMWOMNBHJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.56
Rot. Bonds6

About ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate

ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate (PubChem CID 61342746) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
PubChem CID61342746
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CS(C)(=O)=O
InChIInChI=1S/C9H17NO5S/c1-4-10(6-9(12)15-5-2)8(11)7-16(3,13)14/h4-7H2,1-3H3
InChIKeyNTPDYFMWOMNBHJ-UHFFFAOYSA-N
XLogP-0.56
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate (CID 61342746) is ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate is CCOC(=O)CN(CC)C(=O)CS(C)(=O)=O.
What is the InChIKey of ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate?
The InChIKey is NTPDYFMWOMNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-4-10(6-9(12)15-5-2)8(11)7-16(3,13)14/h4-7H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate?
ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate has a molecular weight of 251.30 g/mol, XLogP of -0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate is sourced from PubChem (CID 61342746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).