2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid

C11H19F3N2O3 — CID 115430404

IUPAC2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-10(4-2,9(18)19)6-16-8(17)5-15-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQWGBSVUPBBFJQG-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.15
Rot. Bonds8

About 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid

2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid (PubChem CID 115430404) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid
PubChem CID115430404
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-10(4-2,9(18)19)6-16-8(17)5-15-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQWGBSVUPBBFJQG-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

(2R)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
CID 86641028
[2,2-Dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid
CID 87869710
3-(3,3-Dimethylpentanoylamino)-4,4,4-trifluorobutanoic acid
CID 88907466
3-(2,2-Diethylbutanoylamino)-4,4,4-trifluorobutanoic acid
CID 88907475
3-(2,2-Dimethylbutanoylamino)-4,4,4-trifluorobutanoic acid
CID 88907642
(2S)-2-[[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butyl]amino]-4,4-dimethylpentanoic acid
CID 178626615
1-[2-(Ethylamino)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226875
1-[2-Oxo-2-(propylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227082
4-Methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
CID 63124832
4-Ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
CID 63126630
3-Ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148665
3-Methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid (CID 115430404) is 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid is CCC(CC)(CNC(=O)CNCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid?
The InChIKey is QWGBSVUPBBFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-3-10(4-2,9(18)19)6-16-8(17)5-15-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115430404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).