3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid

C9H14F3NO3 — CID 60830207

IUPAC3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6(2)13(4-3-8(15)16)7(14)5-9(10,11)12/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyNRBBRVOPVOCUOJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.65
Rot. Bonds5

About 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid

3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid (PubChem CID 60830207) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
PubChem CID60830207
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6(2)13(4-3-8(15)16)7(14)5-9(10,11)12/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyNRBBRVOPVOCUOJ-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[propan-2-yl(3,3,3-trifluoropropanoyl)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-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid (CID 60830207) is 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The InChIKey is NRBBRVOPVOCUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6(2)13(4-3-8(15)16)7(14)5-9(10,11)12/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid has a molecular weight of 241.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid is sourced from PubChem (CID 60830207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).