2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H16F3N3O2 — CID 79266637

IUPAC2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCn1cncc1CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-2-3-17-8-15-4-9(17)5-16(6-10(18)19)7-11(12,13)14/h4,8H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyVXUQGNINHPEVSL-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.74
Rot. Bonds7

About 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266637) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266637
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCn1cncc1CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-2-3-17-8-15-4-9(17)5-16(6-10(18)19)7-11(12,13)14/h4,8H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyVXUQGNINHPEVSL-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266637) is 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCCn1cncc1CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VXUQGNINHPEVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-3-17-8-15-4-9(17)5-16(6-10(18)19)7-11(12,13)14/h4,8H,2-3,5-7H2,1H3,(H,18,19).
What are the key properties of 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.26 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propylimidazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).