2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid

C9H17F3N2O3 — CID 107426053

IUPAC2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)CC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-13(2)3-4-14(6-8(16)17)5-7(15)9(10,11)12/h7,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyCNDJABLBZHDWQU-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.14
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (PubChem CID 107426053) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
PubChem CID107426053
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)CC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-13(2)3-4-14(6-8(16)17)5-7(15)9(10,11)12/h7,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyCNDJABLBZHDWQU-UHFFFAOYSA-N
XLogP-0.14
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901716
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[prop-2-ynyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 79275243
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
2-[2-[bis(carboxymethyl)amino]ethyl-(2,2-dihydroxyethyl)amino]acetic acid
CID 6394180
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
CID 107425241
2-[(2-cyano-3,3,3-trifluoropropyl)-propylamino]acetic acid
CID 103371515
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
CID 107425641
3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
CID 63901016
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;methylsulfonylmethane
CID 12001108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (CID 107426053) is 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is CN(C)CCN(CC(=O)O)CC(O)C(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The InChIKey is CNDJABLBZHDWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-13(2)3-4-14(6-8(16)17)5-7(15)9(10,11)12/h7,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid has a molecular weight of 258.24 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is sourced from PubChem (CID 107426053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).