ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate

C12H19NO5 — CID 58544140

IUPACethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate
SMILESC=COC(=O)CCN(C)C(=O)CCOC(=O)CC
InChIInChI=1S/C12H19NO5/c1-4-11(15)18-9-7-10(14)13(3)8-6-12(16)17-5-2/h5H,2,4,6-9H2,1,3H3
InChIKeyUEHIDAAUWFAGRR-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.86
Rot. Bonds8

About ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate

ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate (PubChem CID 58544140) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate.

Molecular Properties

Compound Nameethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate
PubChem CID58544140
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nameethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate
SMILESC=COC(=O)CCN(C)C(=O)CCOC(=O)CC
InChIInChI=1S/C12H19NO5/c1-4-11(15)18-9-7-10(14)13(3)8-6-12(16)17-5-2/h5H,2,4,6-9H2,1,3H3
InChIKeyUEHIDAAUWFAGRR-UHFFFAOYSA-N
XLogP0.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate?
The IUPAC name of ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate (CID 58544140) is ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate.
What is the SMILES notation for ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate?
The canonical SMILES for ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate is C=COC(=O)CCN(C)C(=O)CCOC(=O)CC.
What is the InChIKey of ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate?
The InChIKey is UEHIDAAUWFAGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-4-11(15)18-9-7-10(14)13(3)8-6-12(16)17-5-2/h5H,2,4,6-9H2,1,3H3.
What are the key properties of ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate?
ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate has a molecular weight of 257.29 g/mol, XLogP of 0.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-[methyl(3-propanoyloxypropanoyl)amino]propanoate is sourced from PubChem (CID 58544140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).