ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate

C9H14F3NO3 — CID 55206741

IUPACethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-16-8(15)4-5-13(2)7(14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyVKEBHQJEAOZDHJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.35
Rot. Bonds5

About ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate

ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate (PubChem CID 55206741) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate
PubChem CID55206741
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Nameethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-16-8(15)4-5-13(2)7(14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyVKEBHQJEAOZDHJ-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate (CID 55206741) is ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate is CCOC(=O)CCN(C)C(=O)CC(F)(F)F.
What is the InChIKey of ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The InChIKey is VKEBHQJEAOZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-3-16-8(15)4-5-13(2)7(14)6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate?
ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate has a molecular weight of 241.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate is sourced from PubChem (CID 55206741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).