2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H19F3N2O3 — CID 115432674

IUPAC2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(CC)(CN)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-10(5-2,6-15)7(17)16-9(3,8(18)19)11(12,13)14/h4-6,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWTGYLAAFXRRESI-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.27
Rot. Bonds6

About 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 115432674) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID115432674
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(CC)(CN)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-10(5-2,6-15)7(17)16-9(3,8(18)19)11(12,13)14/h4-6,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWTGYLAAFXRRESI-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 115432674) is 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCC(CC)(CN)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is WTGYLAAFXRRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-10(5-2,6-15)7(17)16-9(3,8(18)19)11(12,13)14/h4-6,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 115432674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).