3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid

C10H17F3N2O3 — CID 79261449

IUPAC3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-15(5-7(2)9(17)18)8(16)4-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyXNLJBCBYEWNVFN-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.71
Rot. Bonds7

About 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid (PubChem CID 79261449) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid
PubChem CID79261449
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-15(5-7(2)9(17)18)8(16)4-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyXNLJBCBYEWNVFN-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid (CID 79261449) is 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CNCC(F)(F)F.
What is the InChIKey of 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is XNLJBCBYEWNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-15(5-7(2)9(17)18)8(16)4-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79261449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).