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

C10H17F3N2O3 — CID 78958345

IUPACmethyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(9(17)18-3)5-15(2)8(16)4-14-6-10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyRDQSBSBQYFIQKL-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.41
Rot. Bonds6

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

methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate (PubChem CID 78958345) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate
PubChem CID78958345
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(9(17)18-3)5-15(2)8(16)4-14-6-10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyRDQSBSBQYFIQKL-UHFFFAOYSA-N
XLogP0.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate (CID 78958345) is methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate is COC(=O)C(C)CN(C)C(=O)CNCC(F)(F)F.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate?
The InChIKey is RDQSBSBQYFIQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7(9(17)18-3)5-15(2)8(16)4-14-6-10(11,12)13/h7,14H,4-6H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate has a molecular weight of 270.25 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoate is sourced from PubChem (CID 78958345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).