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

C8H13F3N2O3 — CID 79798395

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-6(2,12)4(14)13-7(3,5(15)16)8(9,10)11/h12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyDWRAHTPVYBJJBC-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.25
Rot. Bonds3

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

2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798395) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798395
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-6(2,12)4(14)13-7(3,5(15)16)8(9,10)11/h12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyDWRAHTPVYBJJBC-UHFFFAOYSA-N
XLogP0.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-(trifluoroacetamido)propanoic acid
CID 303594
N-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-2-methylalanine
CID 71405380
N-trifluoroacetyl-isovaline
CID 129724088
2-Methylalanyl-2-methylalanine
CID 547865
2-Ethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic acid
CID 79807087
3,3,3-Trifluoro-2-methyl-2-(trifluoroacetamido)propanoicacid
CID 18179359
3-Fluoro-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 20067302
(2S)-3,3,3-trifluoro-2-methyl-2-(2,2,2-trifluoroacetamido)propanoic acid
CID 21138789
2-Methyl-2-(trifluoroacetamido)butanoic acid
CID 79793677
alpha,alpha-Dimethylglycyl alpha,alpha-Dimethylglycine Methyl Ester Trifluoroacetate
CID 87403533
2-Methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride
CID 87675801
(2S)-2,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 156735711

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798395) is 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(C)(N)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is DWRAHTPVYBJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-6(2,12)4(14)13-7(3,5(15)16)8(9,10)11/h12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 242.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).