methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate

C11H17F3N2O3 — CID 54872086

IUPACmethyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CNC1CC1
InChIInChI=1S/C11H17F3N2O3/c1-19-10(18)4-5-16(7-11(12,13)14)9(17)6-15-8-2-3-8/h8,15H,2-7H2,1H3
InChIKeyCIQGQUAQZPLCRN-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.69
Rot. Bonds7

About methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 54872086) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID54872086
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Namemethyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CNC1CC1
InChIInChI=1S/C11H17F3N2O3/c1-19-10(18)4-5-16(7-11(12,13)14)9(17)6-15-8-2-3-8/h8,15H,2-7H2,1H3
InChIKeyCIQGQUAQZPLCRN-UHFFFAOYSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)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 methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate (CID 54872086) is methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)CNC1CC1.
What is the InChIKey of methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is CIQGQUAQZPLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-19-10(18)4-5-16(7-11(12,13)14)9(17)6-15-8-2-3-8/h8,15H,2-7H2,1H3.
What are the key properties of methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 282.26 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 54872086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).