3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid

C11H19F3N2O3 — CID 79788932

IUPAC3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCC(C)CNC(=O)C(C)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6(2)5-15-8(17)7(3)16-10(4,9(18)19)11(12,13)14/h6-7,16H,5H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyBYITUNMOZBIRMW-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.14
Rot. Bonds6

About 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid (PubChem CID 79788932) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid
PubChem CID79788932
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCC(C)CNC(=O)C(C)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6(2)5-15-8(17)7(3)16-10(4,9(18)19)11(12,13)14/h6-7,16H,5H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyBYITUNMOZBIRMW-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

Analyze 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid with MolForge

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Related Compounds

Ala-Val
CID 96799
Val-Ala
CID 6992638
L-Valyl-L-valine
CID 107475
Ala-Ala-Ala
CID 5478845
Alanyl-alanyl-alanyl-alanine
CID 5478846
Glycyl-alanyl-valine
CID 129439
(2S)-3-methyl-2-(trifluoroacetamido)butanoic acid
CID 2755241
H-Ala-Ala-Ala-Ala-Ala-OH
CID 5478841
DL-Ala-DL-Val
CID 137276
2-[2-(2-Aminopropanoylamino)propanoylamino]propanoic acid
CID 263468
3-Methyl-2-(trifluoroacetamido)butanoic acid
CID 303591
2-[(2-Amino-3-methylbutanoyl)amino]propanoic acid
CID 334517

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid (CID 79788932) is 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid is CC(C)CNC(=O)C(C)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The InChIKey is BYITUNMOZBIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-6(2)5-15-8(17)7(3)16-10(4,9(18)19)11(12,13)14/h6-7,16H,5H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic 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 3,3,3-trifluoro-2-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 79788932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).