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

C11H18F3NO3 — CID 79791596

IUPAC3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid
SMILESCC(NC1CCCCCC1O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-10(9(17)18,11(12,13)14)15-7-5-3-2-4-6-8(7)16/h7-8,15-16H,2-6H2,1H3,(H,17,18)
InChIKeyPAHDIAWRQIZUOA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.68
Rot. Bonds3

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

3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid (PubChem CID 79791596) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid
PubChem CID79791596
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid
SMILESCC(NC1CCCCCC1O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-10(9(17)18,11(12,13)14)15-7-5-3-2-4-6-8(7)16/h7-8,15-16H,2-6H2,1H3,(H,17,18)
InChIKeyPAHDIAWRQIZUOA-UHFFFAOYSA-N
XLogP1.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid (CID 79791596) is 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid is CC(NC1CCCCCC1O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid?
The InChIKey is PAHDIAWRQIZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-10(9(17)18,11(12,13)14)15-7-5-3-2-4-6-8(7)16/h7-8,15-16H,2-6H2,1H3,(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(2-hydroxycycloheptyl)amino]-2-methylpropanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.68, 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-hydroxycycloheptyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79791596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).