2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid

C11H15F3N2O3 — CID 64605223

IUPAC2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(1-2-15-6-10)9(19)16-4-7(5-16)3-8(17)18/h7,15H,1-6H2,(H,17,18)
InChIKeyZSTVCWSJKSZCPO-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.46
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid

2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid (PubChem CID 64605223) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid
PubChem CID64605223
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(1-2-15-6-10)9(19)16-4-7(5-16)3-8(17)18/h7,15H,1-6H2,(H,17,18)
InChIKeyZSTVCWSJKSZCPO-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid (CID 64605223) is 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid?
The InChIKey is ZSTVCWSJKSZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(1-2-15-6-10)9(19)16-4-7(5-16)3-8(17)18/h7,15H,1-6H2,(H,17,18).
What are the key properties of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid?
2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid has a molecular weight of 280.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).