2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H15F3N2O3 — CID 79257705

IUPAC2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C(=O)N(C)C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-6(8(17)13(2)3)14(4-7(15)16)5-9(10,11)12/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyYYEYOSONCCRANJ-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.41
Rot. Bonds5

About 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257705) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257705
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C(=O)N(C)C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-6(8(17)13(2)3)14(4-7(15)16)5-9(10,11)12/h6H,4-5H2,1-3H3,(H,15,16)
InChIKeyYYEYOSONCCRANJ-UHFFFAOYSA-N
XLogP0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257705) is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C(=O)N(C)C)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YYEYOSONCCRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-6(8(17)13(2)3)14(4-7(15)16)5-9(10,11)12/h6H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).