2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

C6H8F3NO4 — CID 61170784

IUPAC2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H8F3NO4/c1-10(2-4(11)12)5(13)14-3-6(7,8)9/h2-3H2,1H3,(H,11,12)
InChIKeyKXHNTGZUISKONU-UHFFFAOYSA-N
MW215.13 g/mol
LogP0.70
Rot. Bonds3

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

2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 61170784) has the molecular formula C6H8F3NO4 and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID61170784
Molecular FormulaC6H8F3NO4
Molecular Weight215.13 g/mol
Exact Mass215.04
IUPAC Name2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C6H8F3NO4/c1-10(2-4(11)12)5(13)14-3-6(7,8)9/h2-3H2,1H3,(H,11,12)
InChIKeyKXHNTGZUISKONU-UHFFFAOYSA-N
XLogP0.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 61170784) is 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is KXHNTGZUISKONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4/c1-10(2-4(11)12)5(13)14-3-6(7,8)9/h2-3H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 215.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 61170784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).