2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid

C8H12F3NO3 — CID 130192301

IUPAC2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid
SMILESCC(C)(C)C(=O)NC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-7(2,3)6(15)12-4(5(13)14)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)
InChIKeyFJLRTOXTIKJBNB-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.16
Rot. Bonds2

About 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid

2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid (PubChem CID 130192301) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid
PubChem CID130192301
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid
SMILESCC(C)(C)C(=O)NC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-7(2,3)6(15)12-4(5(13)14)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)
InChIKeyFJLRTOXTIKJBNB-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(trifluoroacetamido)butanoic acid
CID 2755241
3-Methyl-2-(trifluoroacetamido)butanoic acid
CID 303591
(S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
CID 61143129
L-alanyl-L-alanine trifluoroacetate
CID 49796171
2-(Trifluoroacetamido)butanoic acid
CID 22592668
2-[(2,2,2-Trifluoroacetyl)amino]propanoic acid
CID 291682
2-Acetamido-3,3,3-trifluoropropanoic acid
CID 130192291
(R)-2-((R)-2-Aminopropanamido)propanoic acid 2,2,2-trifluoroacetate
CID 49796169
(2S)-2-(trifluoroacetamido)propanoic acid
CID 11217652
3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
CID 60770376
2-(2,2,3,3,4,4,4-Heptafluorobutanoylamino)propanoic acid
CID 3676822
(2S)-2-acetamido-3,3,3-trifluoropropanoic acid
CID 167726951

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid (CID 130192301) is 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid is CC(C)(C)C(=O)NC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid?
The InChIKey is FJLRTOXTIKJBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-7(2,3)6(15)12-4(5(13)14)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid?
2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid has a molecular weight of 227.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 130192301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).