2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid

C7H8F3NO5 — CID 11265017

IUPAC2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H8F3NO5/c8-7(9,10)6(16)11-3(5(14)15)1-2-4(12)13/h3H,1-2H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyWCTNRLRGZAAGMK-UHFFFAOYSA-N
MW243.14 g/mol
LogP-0.02
Rot. Bonds5

About 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid

2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid (PubChem CID 11265017) has the molecular formula C7H8F3NO5 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid
PubChem CID11265017
Molecular FormulaC7H8F3NO5
Molecular Weight243.14 g/mol
Exact Mass243.04
IUPAC Name2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H8F3NO5/c8-7(9,10)6(16)11-3(5(14)15)1-2-4(12)13/h3H,1-2H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyWCTNRLRGZAAGMK-UHFFFAOYSA-N
XLogP-0.02
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic 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-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid?
The IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid (CID 11265017) is 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid is O=C(O)CCC(NC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid?
The InChIKey is WCTNRLRGZAAGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO5/c8-7(9,10)6(16)11-3(5(14)15)1-2-4(12)13/h3H,1-2H2,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid?
2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid has a molecular weight of 243.14 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroacetyl)amino]pentanedioic acid is sourced from PubChem (CID 11265017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).