4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C12H19F3N2O3 — CID 61205877

IUPAC4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)N(C)CC(F)(F)F)(C(=O)O)CC1
InChIInChI=1S/C12H19F3N2O3/c1-8-3-5-11(6-4-8,9(18)19)16-10(20)17(2)7-12(13,14)15/h8H,3-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMRKRWGJMLAKSED-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.22
Rot. Bonds3

About 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61205877) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61205877
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)N(C)CC(F)(F)F)(C(=O)O)CC1
InChIInChI=1S/C12H19F3N2O3/c1-8-3-5-11(6-4-8,9(18)19)16-10(20)17(2)7-12(13,14)15/h8H,3-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMRKRWGJMLAKSED-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61205877) is 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)N(C)CC(F)(F)F)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MRKRWGJMLAKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8-3-5-11(6-4-8,9(18)19)16-10(20)17(2)7-12(13,14)15/h8H,3-7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61205877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).