2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid

C12H20F3NO3 — CID 56985271

IUPAC2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid
SMILESCCCC(CCCC(F)(F)F)C(=O)NC(C)C(=O)O
InChIInChI=1S/C12H20F3NO3/c1-3-5-9(6-4-7-12(13,14)15)10(17)16-8(2)11(18)19/h8-9H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGHJFTYBPXCHIBB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.72
Rot. Bonds8

About 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid

2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid (PubChem CID 56985271) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid
PubChem CID56985271
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid
SMILESCCCC(CCCC(F)(F)F)C(=O)NC(C)C(=O)O
InChIInChI=1S/C12H20F3NO3/c1-3-5-9(6-4-7-12(13,14)15)10(17)16-8(2)11(18)19/h8-9H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGHJFTYBPXCHIBB-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(6,6,6-trifluoro-2-propylhexanoyl)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

Related Compounds

7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
8,8,8-trifluoro-2-propyloctanoic acid
CID 15512431
(2R)-2-(4,4,4-trifluorobutylcarbamoylamino)propanoic acid
CID 115521291
N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
CID 82987600
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514
N-butan-2-yl-2-propylhexanamide
CID 173163059
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
N-butan-2-yl-2-propylpentanamide
CID 115532227
2-(2-propylpentanoylamino)butanedioic acid
CID 82985290
ethyl 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
2-(2-methylbutanoylamino)propanoic acid
CID 14758658

Frequently Asked Questions

What is the IUPAC name of 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid?
The IUPAC name of 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid (CID 56985271) is 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid is CCCC(CCCC(F)(F)F)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid?
The InChIKey is GHJFTYBPXCHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-3-5-9(6-4-7-12(13,14)15)10(17)16-8(2)11(18)19/h8-9H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid?
2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid is sourced from PubChem (CID 56985271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).