2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H17F3N2O3 — CID 79258853

IUPAC2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)CC(F)(F)F)C1=CCCC1
InChIInChI=1S/C12H17F3N2O3/c1-16(9-4-2-3-5-9)10(18)6-17(7-11(19)20)8-12(13,14)15/h4H,2-3,5-8H2,1H3,(H,19,20)
InChIKeyZJUJRCINMUCUOW-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.46
Rot. Bonds6

About 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258853) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258853
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)CC(F)(F)F)C1=CCCC1
InChIInChI=1S/C12H17F3N2O3/c1-16(9-4-2-3-5-9)10(18)6-17(7-11(19)20)8-12(13,14)15/h4H,2-3,5-8H2,1H3,(H,19,20)
InChIKeyZJUJRCINMUCUOW-UHFFFAOYSA-N
XLogP1.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(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-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258853) is 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN(C(=O)CN(CC(=O)O)CC(F)(F)F)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZJUJRCINMUCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-16(9-4-2-3-5-9)10(18)6-17(7-11(19)20)8-12(13,14)15/h4H,2-3,5-8H2,1H3,(H,19,20).
What are the key properties of 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 294.27 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).