2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid

C10H17F3N2O3 — CID 103802965

IUPAC2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-14(2)5-6-15(7-9(17)18)8(16)3-4-10(11,12)13/h3-7H2,1-2H3,(H,17,18)
InChIKeyQVJYZJCBDVTMNE-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.80
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid (PubChem CID 103802965) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid
PubChem CID103802965
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-14(2)5-6-15(7-9(17)18)8(16)3-4-10(11,12)13/h3-7H2,1-2H3,(H,17,18)
InChIKeyQVJYZJCBDVTMNE-UHFFFAOYSA-N
XLogP0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid (CID 103802965) is 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)CCC(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid?
The InChIKey is QVJYZJCBDVTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-14(2)5-6-15(7-9(17)18)8(16)3-4-10(11,12)13/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutanoyl)amino]acetic acid is sourced from PubChem (CID 103802965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).