2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid

C10H15F3N2O4 — CID 102658346

IUPAC2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c1-8(19-3-6(16)17)4-15(5-8)7(18)9(2,14)10(11,12)13/h3-5,14H2,1-2H3,(H,16,17)
InChIKeyQAKOSQBJZCDCBK-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.03
Rot. Bonds4

About 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658346) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658346
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c1-8(19-3-6(16)17)4-15(5-8)7(18)9(2,14)10(11,12)13/h3-5,14H2,1-2H3,(H,16,17)
InChIKeyQAKOSQBJZCDCBK-UHFFFAOYSA-N
XLogP-0.03
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658346) is 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is QAKOSQBJZCDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-8(19-3-6(16)17)4-15(5-8)7(18)9(2,14)10(11,12)13/h3-5,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 284.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).