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

C11H18F3NO3 — CID 79258199

IUPAC2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-15(7-10(16)17)5-1-3-9-4-2-6-18-9/h9H,1-8H2,(H,16,17)
InChIKeyKKCOWFJNPUMNFW-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds7

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

2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258199) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258199
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-15(7-10(16)17)5-1-3-9-4-2-6-18-9/h9H,1-8H2,(H,16,17)
InChIKeyKKCOWFJNPUMNFW-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Acetyloxy)-N-(carboxymethyl)-N,N-dimethyl-3-(perfluorohexadecyl)-1-propanaminium
CID 162396598
(2-Acetyloxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecyl)-(carboxymethyl)-dimethylazanium
CID 11251134
(2-Acetyloxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-(carboxymethyl)-dimethylazanium
CID 11399386
(2-Acetyloxy-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-(carboxymethyl)-dimethylazanium
CID 11455201
2-[2-(Oxolan-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258257
2-[Oxan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258354
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603
2-[(2-Ethyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266269
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82839748
2-[2,2-Difluoroethyl-[3-(oxolan-2-yl)propyl]amino]ethanol
CID 107485656
2-[3-(Oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113965083
(2-Acetyloxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecyl)-(carboxymethyl)-dimethylazanium
CID 162396524

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258199) is 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCCC1CCCO1)CC(F)(F)F.
What is the InChIKey of 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KKCOWFJNPUMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)8-15(7-10(16)17)5-1-3-9-4-2-6-18-9/h9H,1-8H2,(H,16,17).
What are the key properties of 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-yl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).