2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid

C8H13F3N2O4 — CID 63834068

IUPAC2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c1-13(4-6(14)15)7(16)12-2-3-17-5-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyFMNTXXJGOJWEJG-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.29
Rot. Bonds6

About 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid

2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid (PubChem CID 63834068) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
PubChem CID63834068
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c1-13(4-6(14)15)7(16)12-2-3-17-5-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyFMNTXXJGOJWEJG-UHFFFAOYSA-N
XLogP0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid (CID 63834068) is 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
The InChIKey is FMNTXXJGOJWEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4/c1-13(4-6(14)15)7(16)12-2-3-17-5-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid has a molecular weight of 258.20 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63834068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).