2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H14F3NO4 — CID 79257811

IUPAC2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CCCCO1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-14(5-8(15)16)9(17)7-3-1-2-4-18-7/h7H,1-6H2,(H,15,16)
InChIKeyOXUVBCPEHXEYPJ-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.03
Rot. Bonds4

About 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257811) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257811
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CCCCO1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-14(5-8(15)16)9(17)7-3-1-2-4-18-7/h7H,1-6H2,(H,15,16)
InChIKeyOXUVBCPEHXEYPJ-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257811) is 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)C1CCCCO1.
What is the InChIKey of 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OXUVBCPEHXEYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-14(5-8(15)16)9(17)7-3-1-2-4-18-7/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxane-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).