2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H20F3N3O4 — CID 79264446

IUPAC2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(C)CCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O4/c1-16(5-6-21-2)4-3-15-10(20)17(7-9(18)19)8-11(12,13)14/h3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKPPWUPAKHFMFPG-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.22
Rot. Bonds9

About 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264446) has the molecular formula C11H20F3N3O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264446
Molecular FormulaC11H20F3N3O4
Molecular Weight315.29 g/mol
Exact Mass315.14
IUPAC Name2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(C)CCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O4/c1-16(5-6-21-2)4-3-15-10(20)17(7-9(18)19)8-11(12,13)14/h3-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKPPWUPAKHFMFPG-UHFFFAOYSA-N
XLogP0.22
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264446) is 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is COCCN(C)CCNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KPPWUPAKHFMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O4/c1-16(5-6-21-2)4-3-15-10(20)17(7-9(18)19)8-11(12,13)14/h3-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 315.29 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).