2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid

C11H19F3N2O3 — CID 55009470

IUPAC2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(CCC)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-5-8(9(17)18)15-10(19)16(6-4-2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPMPFKNJGVYAFTH-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.22
Rot. Bonds7

About 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid

2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid (PubChem CID 55009470) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
PubChem CID55009470
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(CCC)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-5-8(9(17)18)15-10(19)16(6-4-2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPMPFKNJGVYAFTH-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic 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-trifluoroethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid (CID 55009470) is 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(CCC)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is PMPFKNJGVYAFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-3-5-8(9(17)18)15-10(19)16(6-4-2)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 55009470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).