2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid

C8H12F3NO4 — CID 43356205

IUPAC2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H12F3NO4/c1-12(4-7(14)15)6(13)2-3-16-5-8(9,10)11/h2-5H2,1H3,(H,14,15)
InChIKeyUGYADAHVIUAHJG-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.50
Rot. Bonds6

About 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid

2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 43356205) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
PubChem CID43356205
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H12F3NO4/c1-12(4-7(14)15)6(13)2-3-16-5-8(9,10)11/h2-5H2,1H3,(H,14,15)
InChIKeyUGYADAHVIUAHJG-UHFFFAOYSA-N
XLogP0.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
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-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (CID 43356205) is 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is CN(CC(=O)O)C(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is UGYADAHVIUAHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4/c1-12(4-7(14)15)6(13)2-3-16-5-8(9,10)11/h2-5H2,1H3,(H,14,15).
What are the key properties of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 243.18 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 43356205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).