2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C8H13F3N2O3 — CID 61265950

IUPAC2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC(F)(F)F)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-7(2,5(14)15)12-6(16)13(3)4-8(9,10)11/h4H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJWLQJLWFMFULMF-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 61265950) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID61265950
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC(F)(F)F)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-7(2,5(14)15)12-6(16)13(3)4-8(9,10)11/h4H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJWLQJLWFMFULMF-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 61265950) is 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CN(CC(F)(F)F)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is JWLQJLWFMFULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-7(2,5(14)15)12-6(16)13(3)4-8(9,10)11/h4H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 242.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61265950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).