3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid

C11H20F3NO3 — CID 106350987

IUPAC3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid
SMILESCC(C)(C)C(CCO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-10(2,3)8(4-5-16)15-6-7(9(17)18)11(12,13)14/h7-8,15-16H,4-6H2,1-3H3,(H,17,18)
InChIKeyXGNSHKLYYGESQG-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.64
Rot. Bonds6

About 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid (PubChem CID 106350987) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid
PubChem CID106350987
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid
SMILESCC(C)(C)C(CCO)NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-10(2,3)8(4-5-16)15-6-7(9(17)18)11(12,13)14/h7-8,15-16H,4-6H2,1-3H3,(H,17,18)
InChIKeyXGNSHKLYYGESQG-UHFFFAOYSA-N
XLogP1.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid with MolForge

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Related Compounds

3-(3,3-Dimethylbutylamino)-4,4,4-trifluorobutanoic acid
CID 57632472
3,3,3-Trifluoro-2-[(4-methylpentan-2-ylamino)methyl]propanoic acid
CID 103237670
3,3,3-Trifluoro-2-[(1-hydroxybutan-2-ylamino)methyl]propanoic acid
CID 103238022
3,3,3-Trifluoro-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]propanoic acid
CID 103243054
3,3,3-Trifluoro-2-[(2-methylpentan-3-ylamino)methyl]propanoic acid
CID 103244176
3,3,3-Trifluoro-2-[(2,4,4-trimethylpentan-2-ylamino)methyl]propanoic acid
CID 103246929
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanoic acid
CID 103249101
3,3,3-Trifluoro-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanoic acid
CID 103253098
3,3,3-Trifluoro-2-[(4-methoxybutan-2-ylamino)methyl]propanoic acid
CID 103254878
3,3,3-Trifluoro-2-[[(4-hydroxy-2-methylbutyl)amino]methyl]propanoic acid
CID 103256177
3,3,3-Trifluoro-2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]propanoic acid
CID 103256528
3,3,3-Trifluoro-2-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]propanoic acid
CID 103256717

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid (CID 106350987) is 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid is CC(C)(C)C(CCO)NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid?
The InChIKey is XGNSHKLYYGESQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-10(2,3)8(4-5-16)15-6-7(9(17)18)11(12,13)14/h7-8,15-16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.64, 6 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-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]propanoic acid is sourced from PubChem (CID 106350987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).