2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid

C11H16F3NO4 — CID 103206159

IUPAC2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)COCC(F)(F)F)CCC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-5-8(16)15-6-10(2-1-3-10)4-9(17)18/h1-7H2,(H,15,16)(H,17,18)
InChIKeyJANJGNQWOUGQAF-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 103206159) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID103206159
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)COCC(F)(F)F)CCC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-5-8(16)15-6-10(2-1-3-10)4-9(17)18/h1-7H2,(H,15,16)(H,17,18)
InChIKeyJANJGNQWOUGQAF-UHFFFAOYSA-N
XLogP1.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid (CID 103206159) is 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)COCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is JANJGNQWOUGQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-19-5-8(16)15-6-10(2-1-3-10)4-9(17)18/h1-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 103206159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).