2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C13H21F3N2O3 — CID 79262708

IUPAC2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCC(NC(=O)CN(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c1-9-2-4-10(5-3-9)17-11(19)6-18(7-12(20)21)8-13(14,15)16/h9-10H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyRIPXNMJOMBPMEG-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.63
Rot. Bonds6

About 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79262708) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79262708
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCC(NC(=O)CN(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c1-9-2-4-10(5-3-9)17-11(19)6-18(7-12(20)21)8-13(14,15)16/h9-10H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyRIPXNMJOMBPMEG-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

4-[[2-(Dimethylamino)acetyl]amino]cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 68531633
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 68531637
(2R)-N-(3-aminopropyl)-2-(cyclohexylamino)-N-(3-cyclohexylpropyl)propanamide;2,2,2-trifluoroacetic acid
CID 70293260
(2S)-N-(3-aminopropyl)-2-(cyclohexylamino)-N-(3-cyclohexylpropyl)propanamide;2,2,2-trifluoroacetic acid
CID 70293263
(4,4-difluorocyclohexyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 90425528
2-[(4-Amino-2,5-difluorocyclohexanecarbonyl)-methylamino]acetic acid
CID 134465898
1-(3,3-Dimethylcyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 171930425
2-[2-methylpropyl-[2-oxo-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
CID 33362536
2-[2-methylpropyl-[2-oxo-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
CID 33362542
2-[2-Methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
CID 33362611
2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 43424811
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 53531399

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79262708) is 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CCC(NC(=O)CN(CC(=O)O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RIPXNMJOMBPMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-9-2-4-10(5-3-9)17-11(19)6-18(7-12(20)21)8-13(14,15)16/h9-10H,2-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79262708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).