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

C11H19F3N2O3 — CID 79258428

IUPAC2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C(=O)NC(C)(C)C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(9(19)15-10(2,3)4)16(5-8(17)18)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyCHLVQMMEGXKXQG-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.24
Rot. Bonds5

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

2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258428) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258428
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C(=O)NC(C)(C)C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(9(19)15-10(2,3)4)16(5-8(17)18)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyCHLVQMMEGXKXQG-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258428) is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C(=O)NC(C)(C)C)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CHLVQMMEGXKXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(9(19)15-10(2,3)4)16(5-8(17)18)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).