ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate

C11H19NO5S — CID 78978338

IUPACethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C11H19NO5S/c1-4-7-12(9-11(14)17-5-2)10(13)6-8-18(3,15)16/h4H,1,5-9H2,2-3H3
InChIKeyZTCBGKPIMWZKLU-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.00
Rot. Bonds8

About ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate

ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate (PubChem CID 78978338) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
PubChem CID78978338
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Nameethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C11H19NO5S/c1-4-7-12(9-11(14)17-5-2)10(13)6-8-18(3,15)16/h4H,1,5-9H2,2-3H3
InChIKeyZTCBGKPIMWZKLU-UHFFFAOYSA-N
XLogP-0.00
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 3-methylsulfonylpropanoate
CID 58565961
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
CID 62954646
ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 115538896
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
ethyl 2-[3-(3-bromophenyl)propanoyl-prop-2-enylamino]acetate
CID 79422617
ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
CID 61342746
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate (CID 78978338) is ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)CCS(C)(=O)=O.
What is the InChIKey of ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate?
The InChIKey is ZTCBGKPIMWZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-4-7-12(9-11(14)17-5-2)10(13)6-8-18(3,15)16/h4H,1,5-9H2,2-3H3.
What are the key properties of ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate?
ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate has a molecular weight of 277.34 g/mol, XLogP of -0.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 78978338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).