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

C11H18F3NO3 — CID 79790955

IUPAC3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid
SMILESCOC1CCCC(NC(C)(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-10(9(16)17,11(12,13)14)15-7-4-3-5-8(6-7)18-2/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyMTHNFZGQLINSJQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.94
Rot. Bonds4

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

3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid (PubChem CID 79790955) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid
PubChem CID79790955
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid
SMILESCOC1CCCC(NC(C)(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-10(9(16)17,11(12,13)14)15-7-4-3-5-8(6-7)18-2/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyMTHNFZGQLINSJQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid with MolForge

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Related Compounds

3-Hydroxy-cyclohexyl-alanine
CID 129737516
4-[[3-(2,2,2-Trifluoroethoxy)cyclohexyl]amino]pentanoic acid
CID 64493867
2-[[3-(2,2,2-Trifluoroethoxy)cyclohexyl]amino]propanoic acid
CID 66172934
Methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propanoate
CID 66173136
2-Methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanoic acid
CID 66276800
2-[(3-Methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257688
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-[(2-hydroxycyclohexyl)amino]-2-methylpropanoic acid
CID 79791609
Methyl 2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butanoate
CID 115353018
2-[[3-(2,2,2-Trifluoroethoxy)cyclohexyl]amino]butanoic acid
CID 115353019
Methyl 2-[(3-methoxycyclohexyl)amino]propanoate
CID 64093763

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid (CID 79790955) is 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid is COC1CCCC(NC(C)(C(=O)O)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid?
The InChIKey is MTHNFZGQLINSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-10(9(16)17,11(12,13)14)15-7-4-3-5-8(6-7)18-2/h7-8,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methoxycyclohexyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79790955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).