2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid

C9H15F3N2O2 — CID 107141742

IUPAC2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
SMILESCCN(CC(F)(F)F)C1(CC(=O)O)CNC1
InChIInChI=1S/C9H15F3N2O2/c1-2-14(6-9(10,11)12)8(3-7(15)16)4-13-5-8/h13H,2-6H2,1H3,(H,15,16)
InChIKeyVNVINNDUHYPJLM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.69
Rot. Bonds5

About 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid

2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107141742) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
PubChem CID107141742
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
SMILESCCN(CC(F)(F)F)C1(CC(=O)O)CNC1
InChIInChI=1S/C9H15F3N2O2/c1-2-14(6-9(10,11)12)8(3-7(15)16)4-13-5-8/h13H,2-6H2,1H3,(H,15,16)
InChIKeyVNVINNDUHYPJLM-UHFFFAOYSA-N
XLogP0.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid (CID 107141742) is 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid is CCN(CC(F)(F)F)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is VNVINNDUHYPJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-14(6-9(10,11)12)8(3-7(15)16)4-13-5-8/h13H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 240.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).