2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid

C17H25NO2 — CID 60998424

IUPAC2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
SMILESCCC(NC1CCCCC1)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-3-17(16(19)20,14-11-9-13(2)10-12-14)18-15-7-5-4-6-8-15/h9-12,15,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyHWEYJQRBHSFLGM-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.61
Rot. Bonds5

About 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid

2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid (PubChem CID 60998424) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
PubChem CID60998424
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
SMILESCCC(NC1CCCCC1)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-3-17(16(19)20,14-11-9-13(2)10-12-14)18-15-7-5-4-6-8-15/h9-12,15,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyHWEYJQRBHSFLGM-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid
CID 60997387
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid
CID 60998177
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
2-(cyclopentylamino)-2-(4-ethylphenyl)butanamide
CID 60997547
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
2-(3-methylanilino)-2-(4-methylphenyl)butanoic acid
CID 60993922
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid (CID 60998424) is 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid is CCC(NC1CCCCC1)(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid?
The InChIKey is HWEYJQRBHSFLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-17(16(19)20,14-11-9-13(2)10-12-14)18-15-7-5-4-6-8-15/h9-12,15,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid?
2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 60998424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).