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

C8H12F3NO3 — CID 79258763

IUPAC2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-12(3-7(13)14)6-1-2-15-4-6/h6H,1-5H2,(H,13,14)
InChIKeyOLXPKEBWPSTISI-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.72
Rot. Bonds4

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

2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258763) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258763
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-12(3-7(13)14)6-1-2-15-4-6/h6H,1-5H2,(H,13,14)
InChIKeyOLXPKEBWPSTISI-UHFFFAOYSA-N
XLogP0.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[Methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate
CID 163286789
[2-[Methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
CID 175223197
2-[Methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 175223198
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961978
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961980
2-[Cyclopentyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962327
2-[Butan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962378
2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54983399
2-[Carboxymethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 55244989
2-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490705
2-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490820
2-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 61490944

Frequently Asked Questions

What is the IUPAC name of 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258763) is 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCOC1.
What is the InChIKey of 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OLXPKEBWPSTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)5-12(3-7(13)14)6-1-2-15-4-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 227.18 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).