2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid

C7H10F3NO4 — CID 67112606

IUPAC2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CC1CNC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5(8)1-4-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChIKeyCSGNZLKPHTZPDM-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.31
Rot. Bonds2

About 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid

2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 67112606) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID67112606
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CC1CNC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5(8)1-4-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChIKeyCSGNZLKPHTZPDM-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 67112606) is 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is CSGNZLKPHTZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2HF3O2/c7-5(8)1-4-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7).
What are the key properties of 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67112606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).