2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid

C17H25NO2 — CID 60997589

IUPAC2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(NC2CCCCC2)C(=O)O)c(C)c1
InChIInChI=1S/C17H25NO2/c1-11-9-12(2)15(13(3)10-11)16(17(19)20)18-14-7-5-4-6-8-14/h9-10,14,16,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyZYFPCFIITKVNDZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.66
Rot. Bonds4

About 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid

2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid (PubChem CID 60997589) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
PubChem CID60997589
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(NC2CCCCC2)C(=O)O)c(C)c1
InChIInChI=1S/C17H25NO2/c1-11-9-12(2)15(13(3)10-11)16(17(19)20)18-14-7-5-4-6-8-14/h9-10,14,16,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyZYFPCFIITKVNDZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic 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

2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
CID 54894375
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82045661
3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066434
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid (CID 60997589) is 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid is Cc1cc(C)c(C(NC2CCCCC2)C(=O)O)c(C)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
The InChIKey is ZYFPCFIITKVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-9-12(2)15(13(3)10-11)16(17(19)20)18-14-7-5-4-6-8-14/h9-10,14,16,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid has a molecular weight of 275.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 60997589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).