2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid

C10H17F3N2O3 — CID 79811253

IUPAC2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)C(C)(N)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-5(2)6(7(16)17)4-15-8(18)9(3,14)10(11,12)13/h5-6H,4,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUOBDIWQERBWOSR-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.74
Rot. Bonds5

About 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid

2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 79811253) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid
PubChem CID79811253
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)C(C)(N)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-5(2)6(7(16)17)4-15-8(18)9(3,14)10(11,12)13/h5-6H,4,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUOBDIWQERBWOSR-UHFFFAOYSA-N
XLogP0.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid with MolForge

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Related Compounds

N-(Trifluoroacetyl)-L-valyl-L-valine
CID 71371637
2-amino-N-(3-methylbutyl)acetamide;2,2,2-trifluoroacetic acid
CID 20142129
3-(2-Aminopropanoylamino)-4,4-difluorobutanoic acid
CID 20508354
(3S)-3-amino-4-(2,4-dimethylpentan-3-ylamino)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 88226180
(3S)-3-amino-4-(2-methylpropylamino)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 162541905
(2S)-2-amino-N-ethyl-3-methylbutanamide;2,2,2-trifluoroacetic acid
CID 169424359
2-amino-N-butanoyl-3-methylbutanamide;butanoic acid;2,2,2-trifluoroacetic acid
CID 175255973
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-4-fluoro-4-oxobutanoic acid
CID 175702889
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]-2-methylpropanoic acid
CID 55123016
3-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
CID 55123188
4-Methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63719841

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid (CID 79811253) is 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)C(C)(N)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is UOBDIWQERBWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-5(2)6(7(16)17)4-15-8(18)9(3,14)10(11,12)13/h5-6H,4,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid?
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 79811253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).