2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid

C8H13F3N2O2 — CID 107142660

IUPAC2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCCC(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(3-6(14)15)4-12-5-7/h12-13H,1-5H2,(H,14,15)
InChIKeyAJDWEUFMOJDDBI-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.35
Rot. Bonds5

About 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid

2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid (PubChem CID 107142660) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid
PubChem CID107142660
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCCC(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(3-6(14)15)4-12-5-7/h12-13H,1-5H2,(H,14,15)
InChIKeyAJDWEUFMOJDDBI-UHFFFAOYSA-N
XLogP0.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid (CID 107142660) is 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(NCCC(F)(F)F)CNC1.
What is the InChIKey of 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid?
The InChIKey is AJDWEUFMOJDDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(3-6(14)15)4-12-5-7/h12-13H,1-5H2,(H,14,15).
What are the key properties of 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid?
2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid has a molecular weight of 226.20 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3,3-trifluoropropylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).