3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C11H19F3N2O3 — CID 55009520

IUPAC3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-6-16(8-11(12,13)14)10(19)15(4-2)7-5-9(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyULJUWEGIAGPGEB-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.18
Rot. Bonds7

About 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 55009520) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID55009520
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-3-6-16(8-11(12,13)14)10(19)15(4-2)7-5-9(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyULJUWEGIAGPGEB-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic 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 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 55009520) is 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CCCN(CC(F)(F)F)C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ULJUWEGIAGPGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-3-6-16(8-11(12,13)14)10(19)15(4-2)7-5-9(17)18/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55009520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).