azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid

C10H15F3N2O5 — CID 126573388

IUPACazetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(OC1CNC1)N1CCOCC1
InChIInChI=1S/C8H14N2O3.C2HF3O2/c11-8(13-7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyBHMWOKXEXBMONJ-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.06
Rot. Bonds1

About azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid

azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 126573388) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID126573388
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Nameazetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(OC1CNC1)N1CCOCC1
InChIInChI=1S/C8H14N2O3.C2HF3O2/c11-8(13-7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyBHMWOKXEXBMONJ-UHFFFAOYSA-N
XLogP0.06
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid (CID 126573388) is azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(OC1CNC1)N1CCOCC1.
What is the InChIKey of azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is BHMWOKXEXBMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.C2HF3O2/c11-8(13-7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7).
What are the key properties of azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid?
azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 300.23 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl morpholine-4-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).