2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C7H11F3N2O3 — CID 79792140

IUPAC2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCN(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-6(4(13)14,7(8,9)10)11-5(15)12(2)3/h1-3H3,(H,11,15)(H,13,14)
InChIKeyLENMYMJQCBTSSG-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.66
Rot. Bonds2

About 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792140) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792140
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCN(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-6(4(13)14,7(8,9)10)11-5(15)12(2)3/h1-3H3,(H,11,15)(H,13,14)
InChIKeyLENMYMJQCBTSSG-UHFFFAOYSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792140) is 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CN(C)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is LENMYMJQCBTSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-6(4(13)14,7(8,9)10)11-5(15)12(2)3/h1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 228.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).