3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid

C11H17F3N2O3 — CID 55175732

IUPAC3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCC(F)(F)F)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)4-5-15-10(19)16-8-3-1-2-7(6-8)9(17)18/h7-8H,1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyLWZSYQRRRVSPBY-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.88
Rot. Bonds4

About 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 55175732) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID55175732
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCC(F)(F)F)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)4-5-15-10(19)16-8-3-1-2-7(6-8)9(17)18/h7-8H,1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyLWZSYQRRRVSPBY-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043362
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
3-[3-(ethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63041759
3-(3-sulfamoylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043374
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
3-[4-(dimethylamino)butylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63044112
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103932793

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 55175732) is 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCC(F)(F)F)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LWZSYQRRRVSPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)4-5-15-10(19)16-8-3-1-2-7(6-8)9(17)18/h7-8H,1-6H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55175732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).