2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid

C7H8F3NO4 — CID 23539839

IUPAC2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCC(=O)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c1-4(12)2-11(3-5(13)14)6(15)7(8,9)10/h2-3H2,1H3,(H,13,14)
InChIKeyLLXOMQXBSWWABT-UHFFFAOYSA-N
MW227.14 g/mol
LogP0.05
Rot. Bonds4

About 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid

2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 23539839) has the molecular formula C7H8F3NO4 and a molecular weight of 227.14 g/mol. Its IUPAC name is 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID23539839
Molecular FormulaC7H8F3NO4
Molecular Weight227.14 g/mol
Exact Mass227.04
IUPAC Name2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCC(=O)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c1-4(12)2-11(3-5(13)14)6(15)7(8,9)10/h2-3H2,1H3,(H,13,14)
InChIKeyLLXOMQXBSWWABT-UHFFFAOYSA-N
XLogP0.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 23539839) is 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid is CC(=O)CN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is LLXOMQXBSWWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO4/c1-4(12)2-11(3-5(13)14)6(15)7(8,9)10/h2-3H2,1H3,(H,13,14).
What are the key properties of 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 227.14 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 23539839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).