2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid

C10H15F3N2O4 — CID 64616684

IUPAC2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-19-2-1-14-9(18)15-4-7(5-15)3-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyFMMWWTYHFQHUJS-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.68
Rot. Bonds6

About 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616684) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64616684
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-19-2-1-14-9(18)15-4-7(5-15)3-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyFMMWWTYHFQHUJS-UHFFFAOYSA-N
XLogP0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid (CID 64616684) is 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)NCCOCC(F)(F)F)C1.
What is the InChIKey of 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is FMMWWTYHFQHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)6-19-2-1-14-9(18)15-4-7(5-15)3-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).