2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

C10H17F3N2O3 — CID 60833131

IUPAC2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(2)15(5-9(17)18)4-8(16)14-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKXABVBYGHGNALA-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.85
Rot. Bonds7

About 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (PubChem CID 60833131) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
PubChem CID60833131
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(2)15(5-9(17)18)4-8(16)14-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKXABVBYGHGNALA-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (CID 60833131) is 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is CCC(C)N(CC(=O)O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The InChIKey is KXABVBYGHGNALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-7(2)15(5-9(17)18)4-8(16)14-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 60833131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).