2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid

C10H15F3N2O4 — CID 102659494

IUPAC2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c1-9(19-3-8(17)18)5-15(6-9)2-7(16)14-4-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyBGMCPDRJVSSUGU-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.16
Rot. Bonds6

About 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659494) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid
PubChem CID102659494
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c1-9(19-3-8(17)18)5-15(6-9)2-7(16)14-4-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyBGMCPDRJVSSUGU-UHFFFAOYSA-N
XLogP-0.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid (CID 102659494) is 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is BGMCPDRJVSSUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-9(19-3-8(17)18)5-15(6-9)2-7(16)14-4-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 284.23 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).