3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid

C10H16F3NO3 — CID 79791609

IUPAC3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid
SMILESCC(NC1CCCCC1O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(8(16)17,10(11,12)13)14-6-4-2-3-5-7(6)15/h6-7,14-15H,2-5H2,1H3,(H,16,17)
InChIKeyZWYGBZCODZCFOU-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.29
Rot. Bonds3

About 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid (PubChem CID 79791609) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid
PubChem CID79791609
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid
SMILESCC(NC1CCCCC1O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(8(16)17,10(11,12)13)14-6-4-2-3-5-7(6)15/h6-7,14-15H,2-5H2,1H3,(H,16,17)
InChIKeyZWYGBZCODZCFOU-UHFFFAOYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Hydroxycyclohexyl)amino]acetic acid
CID 60886714
(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 161393495
3,3,3-Trifluoro-2-methyl-2-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 79790343
3,3,3-Trifluoro-2-methyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 79790941
3,3,3-Trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid
CID 79790955
3,3,3-Trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid
CID 79791596
3,3,3-Trifluoro-2-(5-hydroxypentylamino)-2-methylpropanoic acid
CID 79791803
2-(Cyclohexylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792009
3,3,3-Trifluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]-2-methylpropanoic acid
CID 79800988
(2S)-2-[[(2R)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]butanoic acid
CID 101641001
(2S)-2-[[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]butanoic acid
CID 101641002
(2S)-2-[[(2R)-3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxyhexyl]amino]pentanoic acid
CID 101641007

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid (CID 79791609) is 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid is CC(NC1CCCCC1O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid?
The InChIKey is ZWYGBZCODZCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(8(16)17,10(11,12)13)14-6-4-2-3-5-7(6)15/h6-7,14-15H,2-5H2,1H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.29, 3 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-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79791609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).