2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H19F3N2O4 — CID 79263695

IUPAC2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O4/c1-2-21-9-3-5-16(6-4-9)11(20)17(7-10(18)19)8-12(13,14)15/h9H,2-8H2,1H3,(H,18,19)
InChIKeyWJCNDIQIDUETRR-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds5

About 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263695) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263695
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O4/c1-2-21-9-3-5-16(6-4-9)11(20)17(7-10(18)19)8-12(13,14)15/h9H,2-8H2,1H3,(H,18,19)
InChIKeyWJCNDIQIDUETRR-UHFFFAOYSA-N
XLogP1.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethoxypiperidine-1-carbonyl)-(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-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263695) is 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCOC1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WJCNDIQIDUETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-2-21-9-3-5-16(6-4-9)11(20)17(7-10(18)19)8-12(13,14)15/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).