2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

C10H15F3N2O5 — CID 61327110

IUPAC2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C10H15F3N2O5/c1-14(2)7(16)3-15(6-10(11,12)13)8(17)4-20-5-9(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyRDKDBBNZVMUFPY-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.43
Rot. Bonds7

About 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61327110) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61327110
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C10H15F3N2O5/c1-14(2)7(16)3-15(6-10(11,12)13)8(17)4-20-5-9(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyRDKDBBNZVMUFPY-UHFFFAOYSA-N
XLogP-0.43
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetic acid
CID 130266771
[2-[4-(2-Hydroxyacetyl)piperazin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 155797915
2-[2-[2-[Methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 177028617
2-[2-Oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid
CID 55150172
2-[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid
CID 61326913
2-[2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61327104
2-[2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327296
2-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61327447
2-[2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61327508
2-[2-Oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid
CID 61328225
2-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61329824
2-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61603613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (CID 61327110) is 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is CN(C)C(=O)CN(CC(F)(F)F)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is RDKDBBNZVMUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O5/c1-14(2)7(16)3-15(6-10(11,12)13)8(17)4-20-5-9(18)19/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 300.23 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).