ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate

C13H24N2O5S — CID 115538843

IUPACethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)C(C)NS(=O)(=O)CCC
InChIInChI=1S/C13H24N2O5S/c1-5-8-15(10-12(16)20-7-3)13(17)11(4)14-21(18,19)9-6-2/h5,11,14H,1,6-10H2,2-4H3
InChIKeyGBLYANVESIVIOE-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.28
Rot. Bonds10

About ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate

ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate (PubChem CID 115538843) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
PubChem CID115538843
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)C(C)NS(=O)(=O)CCC
InChIInChI=1S/C13H24N2O5S/c1-5-8-15(10-12(16)20-7-3)13(17)11(4)14-21(18,19)9-6-2/h5,11,14H,1,6-10H2,2-4H3
InChIKeyGBLYANVESIVIOE-UHFFFAOYSA-N
XLogP0.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide
CID 115775972
ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 61022871
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
2-[carboxymethyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
CID 63650978
ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
CID 54898521
ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate
CID 78977560
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylsulfonylamino)propanamide
CID 43573547
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate (CID 115538843) is ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate is C=CCN(CC(=O)OCC)C(=O)C(C)NS(=O)(=O)CCC.
What is the InChIKey of ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
The InChIKey is GBLYANVESIVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-5-8-15(10-12(16)20-7-3)13(17)11(4)14-21(18,19)9-6-2/h5,11,14H,1,6-10H2,2-4H3.
What are the key properties of ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate?
ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate has a molecular weight of 320.41 g/mol, XLogP of 0.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate is sourced from PubChem (CID 115538843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).