3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid

C10H18F3NO3 — CID 103249101

IUPAC3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid
SMILESCCC(CC)(CO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-9(4-2,6-15)14-5-7(8(16)17)10(11,12)13/h7,14-15H,3-6H2,1-2H3,(H,16,17)
InChIKeyXZQURGIUXXDYFP-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.39
Rot. Bonds7

About 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid (PubChem CID 103249101) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid
PubChem CID103249101
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid
SMILESCCC(CC)(CO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-3-9(4-2,6-15)14-5-7(8(16)17)10(11,12)13/h7,14-15H,3-6H2,1-2H3,(H,16,17)
InChIKeyXZQURGIUXXDYFP-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]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

Propanoic acid, 3-[(2-hydroxy-1,1-dimethylethyl)amino]-2-methyl-
CID 43538678
2,2,3-Trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 65265688
2-Ethyl-2-(3,3,3-trifluoropropylamino)butanoic acid
CID 78925830
2-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
CID 79396878
2-Ethyl-2-[2-(trifluoromethoxy)ethylamino]butanoic acid
CID 79803694
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butanoic acid
CID 79810074
2-Ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 79810251
2-(2-Ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 82929087
3,3,3-Trifluoro-2-[(2-methylbutan-2-ylamino)methyl]propanoic acid
CID 103230923
3,3,3-Trifluoro-2-[(1-hydroxybutan-2-ylamino)methyl]propanoic acid
CID 103238022
3,3,3-Trifluoro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanoic acid
CID 103238076
3,3,3-Trifluoro-2-[(1-hydroxypropan-2-ylamino)methyl]propanoic acid
CID 103238306

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid (CID 103249101) is 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid is CCC(CC)(CO)NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid?
The InChIKey is XZQURGIUXXDYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-3-9(4-2,6-15)14-5-7(8(16)17)10(11,12)13/h7,14-15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid is sourced from PubChem (CID 103249101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).