2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid

C11H19F3N2O3 — CID 65265746

IUPAC2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
SMILESCC(C)(NCC(=O)NCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-9(2,8(18)19)10(3,4)16-5-7(17)15-6-11(12,13)14/h16H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyGXKZLMGDQQPHRX-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.14
Rot. Bonds6

About 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid

2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid (PubChem CID 65265746) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
PubChem CID65265746
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
SMILESCC(C)(NCC(=O)NCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-9(2,8(18)19)10(3,4)16-5-7(17)15-6-11(12,13)14/h16H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyGXKZLMGDQQPHRX-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 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 ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
[2,3,3-Trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869838
3-(2,2-Dimethylbutanoylamino)-4,4,4-trifluorobutanoic acid
CID 88907642
3-[Tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 54926000
3-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
CID 55123188
1-[2-Oxo-2-(propylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227082
1-[2-(Butan-2-ylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708392
1-[2-(Propylamino)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708699
1-[1-(Ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708908
1-[2-(Butan-2-ylamino)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709252
1-[1-Oxo-1-(propylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709288

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid (CID 65265746) is 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid is CC(C)(NCC(=O)NCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid?
The InChIKey is GXKZLMGDQQPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-9(2,8(18)19)10(3,4)16-5-7(17)15-6-11(12,13)14/h16H,5-6H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid is sourced from PubChem (CID 65265746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).