2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H15F3N2O4 — CID 79265902

IUPAC2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC1CCOC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-15(4-8(16)17)9(18)14-3-7-1-2-19-5-7/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyFYLQAJLJGROCJQ-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.68
Rot. Bonds5

About 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265902) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265902
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC1CCOC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-15(4-8(16)17)9(18)14-3-7-1-2-19-5-7/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyFYLQAJLJGROCJQ-UHFFFAOYSA-N
XLogP0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265902) is 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCC1CCOC1.
What is the InChIKey of 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FYLQAJLJGROCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)6-15(4-8(16)17)9(18)14-3-7-1-2-19-5-7/h7H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).