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

C10H17F3N2O2 — CID 107141747

IUPAC2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
SMILESCCCN(CC(F)(F)F)C1(CC(=O)O)CNC1
InChIInChI=1S/C10H17F3N2O2/c1-2-3-15(7-10(11,12)13)9(4-8(16)17)5-14-6-9/h14H,2-7H2,1H3,(H,16,17)
InChIKeySSSPFVGOKIIPRG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.08
Rot. Bonds6

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

2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107141747) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
PubChem CID107141747
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
SMILESCCCN(CC(F)(F)F)C1(CC(=O)O)CNC1
InChIInChI=1S/C10H17F3N2O2/c1-2-3-15(7-10(11,12)13)9(4-8(16)17)5-14-6-9/h14H,2-7H2,1H3,(H,16,17)
InChIKeySSSPFVGOKIIPRG-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid (CID 107141747) is 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid is CCCN(CC(F)(F)F)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is SSSPFVGOKIIPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-3-15(7-10(11,12)13)9(4-8(16)17)5-14-6-9/h14H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid?
2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[propyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).