ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate

C9H18N2O5S — CID 78925094

IUPACethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H18N2O5S/c1-4-16-8(12)7-10-9(13)11(2)5-6-17(3,14)15/h4-7H2,1-3H3,(H,10,13)
InChIKeyHWTWOPXTSXLKTC-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.76
Rot. Bonds6

About ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate

ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate (PubChem CID 78925094) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate
PubChem CID78925094
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Nameethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H18N2O5S/c1-4-16-8(12)7-10-9(13)11(2)5-6-17(3,14)15/h4-7H2,1-3H3,(H,10,13)
InChIKeyHWTWOPXTSXLKTC-UHFFFAOYSA-N
XLogP-0.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate (CID 78925094) is ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate?
The InChIKey is HWTWOPXTSXLKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-4-16-8(12)7-10-9(13)11(2)5-6-17(3,14)15/h4-7H2,1-3H3,(H,10,13).
What are the key properties of ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate?
ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate has a molecular weight of 266.32 g/mol, XLogP of -0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 78925094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).