2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3NO4 — CID 114105272

IUPAC2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1OCCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-2-8-7(3-4-19-8)10(18)15(5-9(16)17)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyCXAILBWYZMDMII-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds5

About 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114105272) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114105272
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1OCCC1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-2-8-7(3-4-19-8)10(18)15(5-9(16)17)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyCXAILBWYZMDMII-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 114105272) is 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCC1OCCC1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CXAILBWYZMDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-2-8-7(3-4-19-8)10(18)15(5-9(16)17)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyloxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114105272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).