2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

C8H12F3NO4 — CID 61169229

IUPAC2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO4/c1-5(2)12(3-6(13)14)7(15)16-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyCGIMOYIKWNFJRT-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.48
Rot. Bonds4

About 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 61169229) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID61169229
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO4/c1-5(2)12(3-6(13)14)7(15)16-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyCGIMOYIKWNFJRT-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)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-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 61169229) is 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is CGIMOYIKWNFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4/c1-5(2)12(3-6(13)14)7(15)16-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 243.18 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 61169229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).