ethyl 2-(2-methylsulfonylpropanoylamino)acetate

C8H15NO5S — CID 115589392

IUPACethyl 2-(2-methylsulfonylpropanoylamino)acetate
SMILESCCOC(=O)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H15NO5S/c1-4-14-7(10)5-9-8(11)6(2)15(3,12)13/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyIETCBMWBUZHERH-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.90
Rot. Bonds5

About ethyl 2-(2-methylsulfonylpropanoylamino)acetate

ethyl 2-(2-methylsulfonylpropanoylamino)acetate (PubChem CID 115589392) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 2-(2-methylsulfonylpropanoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylsulfonylpropanoylamino)acetate
PubChem CID115589392
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Nameethyl 2-(2-methylsulfonylpropanoylamino)acetate
SMILESCCOC(=O)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H15NO5S/c1-4-14-7(10)5-9-8(11)6(2)15(3,12)13/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyIETCBMWBUZHERH-UHFFFAOYSA-N
XLogP-0.90
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
ethyl (2S)-2-methylsulfonylpropanoate
CID 93493008
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate
CID 4670529
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
CID 157113144
ethyl 2-[[(2S)-2,4-dibromobutanoyl]amino]acetate
CID 129394839
3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 560349
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylsulfonylpropanoylamino)acetate?
The IUPAC name of ethyl 2-(2-methylsulfonylpropanoylamino)acetate (CID 115589392) is ethyl 2-(2-methylsulfonylpropanoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-methylsulfonylpropanoylamino)acetate?
The canonical SMILES for ethyl 2-(2-methylsulfonylpropanoylamino)acetate is CCOC(=O)CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of ethyl 2-(2-methylsulfonylpropanoylamino)acetate?
The InChIKey is IETCBMWBUZHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-4-14-7(10)5-9-8(11)6(2)15(3,12)13/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of ethyl 2-(2-methylsulfonylpropanoylamino)acetate?
ethyl 2-(2-methylsulfonylpropanoylamino)acetate has a molecular weight of 237.28 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylsulfonylpropanoylamino)acetate is sourced from PubChem (CID 115589392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).