2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H20F3NO3 — CID 79934493

IUPAC2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H20F3NO3/c1-10(2)5-8(11(3,4)19-10)16(6-9(17)18)7-12(13,14)15/h8H,5-7H2,1-4H3,(H,17,18)
InChIKeyYCHMCOKWJBWZDW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.28
Rot. Bonds4

About 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79934493) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79934493
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)CC(N(CC(=O)O)CC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H20F3NO3/c1-10(2)5-8(11(3,4)19-10)16(6-9(17)18)7-12(13,14)15/h8H,5-7H2,1-4H3,(H,17,18)
InChIKeyYCHMCOKWJBWZDW-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79934493) is 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(C)CC(N(CC(=O)O)CC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YCHMCOKWJBWZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-10(2)5-8(11(3,4)19-10)16(6-9(17)18)7-12(13,14)15/h8H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,5,5-tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79934493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).