ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate

C10H15F3N2O4 — CID 23278174

IUPACethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-4-19-8(17)6(3)14-7(16)5(2)15-9(18)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyMZICDURUWQCPOC-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.12
Rot. Bonds5

About ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate

ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate (PubChem CID 23278174) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate
PubChem CID23278174
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Nameethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-4-19-8(17)6(3)14-7(16)5(2)15-9(18)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyMZICDURUWQCPOC-UHFFFAOYSA-N
XLogP0.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate?
The IUPAC name of ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate (CID 23278174) is ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate?
The canonical SMILES for ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate is CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate?
The InChIKey is MZICDURUWQCPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-4-19-8(17)6(3)14-7(16)5(2)15-9(18)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate?
ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate has a molecular weight of 284.23 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate is sourced from PubChem (CID 23278174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).