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

C10H16F3N3O3 — CID 79266795

IUPAC2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-16(5-8(17)18)9(19)15-3-1-7(14)2-4-15/h7H,1-6,14H2,(H,17,18)
InChIKeyPHTJJNQSCGLPAP-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.48
Rot. Bonds3

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

2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266795) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266795
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-16(5-8(17)18)9(19)15-3-1-7(14)2-4-15/h7H,1-6,14H2,(H,17,18)
InChIKeyPHTJJNQSCGLPAP-UHFFFAOYSA-N
XLogP0.48
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-aminopiperidine-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-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266795) is 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is NC1CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PHTJJNQSCGLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-16(5-8(17)18)9(19)15-3-1-7(14)2-4-15/h7H,1-6,14H2,(H,17,18).
What are the key properties of 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).