2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid

C10H17F3N2O4 — CID 103802566

IUPAC2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-14(2)3-4-15(5-9(17)18)8(16)6-19-7-10(11,12)13/h3-7H2,1-2H3,(H,17,18)
InChIKeyWHOCBRZQNAXGEI-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.04
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid (PubChem CID 103802566) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
PubChem CID103802566
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-14(2)3-4-15(5-9(17)18)8(16)6-19-7-10(11,12)13/h3-7H2,1-2H3,(H,17,18)
InChIKeyWHOCBRZQNAXGEI-UHFFFAOYSA-N
XLogP0.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid (CID 103802566) is 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)COCC(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
The InChIKey is WHOCBRZQNAXGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-14(2)3-4-15(5-9(17)18)8(16)6-19-7-10(11,12)13/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid has a molecular weight of 286.25 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 103802566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).