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

C6H8F3NO3 — CID 16776833

IUPAC2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(3-5(12)13)4(11)2-6(7,8)9/h2-3H2,1H3,(H,12,13)
InChIKeyDJHBWNDXQIWVGE-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.48
Rot. Bonds3

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

2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid (PubChem CID 16776833) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
PubChem CID16776833
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(3-5(12)13)4(11)2-6(7,8)9/h2-3H2,1H3,(H,12,13)
InChIKeyDJHBWNDXQIWVGE-UHFFFAOYSA-N
XLogP0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid (CID 16776833) is 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid is CN(CC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The InChIKey is DJHBWNDXQIWVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-10(3-5(12)13)4(11)2-6(7,8)9/h2-3H2,1H3,(H,12,13).
What are the key properties of 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid has a molecular weight of 199.13 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetic acid is sourced from PubChem (CID 16776833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).