4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid

C11H17F3N2O3 — CID 79805526

IUPAC4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(N)(C(=O)NC1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(15,11(12,13)14)9(19)16-7-4-2-6(3-5-7)8(17)18/h6-7H,2-5,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyCKBJPYBXEMOQIJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.03
Rot. Bonds3

About 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79805526) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79805526
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(N)(C(=O)NC1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(15,11(12,13)14)9(19)16-7-4-2-6(3-5-7)8(17)18/h6-7H,2-5,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyCKBJPYBXEMOQIJ-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 114173491
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 103063066
2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 79805453
4-[[2-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119230227
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028310
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79797261
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid (CID 79805526) is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid is CC(N)(C(=O)NC1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CKBJPYBXEMOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(15,11(12,13)14)9(19)16-7-4-2-6(3-5-7)8(17)18/h6-7H,2-5,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79805526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).