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

C9H16F3NO3 — CID 61490867

IUPAC2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCCCN(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO3/c1-2-3-13(6-8(14)15)4-5-16-7-9(10,11)12/h2-7H2,1H3,(H,14,15)
InChIKeyPQZQKIXMTRZGCX-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds8

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

2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (PubChem CID 61490867) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
PubChem CID61490867
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCCCN(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO3/c1-2-3-13(6-8(14)15)4-5-16-7-9(10,11)12/h2-7H2,1H3,(H,14,15)
InChIKeyPQZQKIXMTRZGCX-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]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-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (CID 61490867) is 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is CCCN(CCOCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The InChIKey is PQZQKIXMTRZGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-2-3-13(6-8(14)15)4-5-16-7-9(10,11)12/h2-7H2,1H3,(H,14,15).
What are the key properties of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 61490867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).