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

C7H11F3N2O3 — CID 60890651

IUPAC2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-11(3-5(13)14)6(15)12(2)4-7(8,9)10/h3-4H2,1-2H3,(H,13,14)
InChIKeyXUTDJHRFXPOXPM-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.62
Rot. Bonds3

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

2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 60890651) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID60890651
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-11(3-5(13)14)6(15)12(2)4-7(8,9)10/h3-4H2,1-2H3,(H,13,14)
InChIKeyXUTDJHRFXPOXPM-UHFFFAOYSA-N
XLogP0.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 60890651) is 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is XUTDJHRFXPOXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-11(3-5(13)14)6(15)12(2)4-7(8,9)10/h3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 228.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 60890651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).