2-[4-(4-aminophenyl)cyclohexyl]propanoic acid

C15H21NO2 — CID 68682139

IUPAC2-[4-(4-aminophenyl)cyclohexyl]propanoic acid
SMILESCC(C(=O)O)C1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21NO2/c1-10(15(17)18)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-12H,2-5,16H2,1H3,(H,17,18)
InChIKeyRCQIHCRKQNVEGY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.26
Rot. Bonds3

About 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid

2-[4-(4-aminophenyl)cyclohexyl]propanoic acid (PubChem CID 68682139) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)cyclohexyl]propanoic acid
PubChem CID68682139
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[4-(4-aminophenyl)cyclohexyl]propanoic acid
SMILESCC(C(=O)O)C1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21NO2/c1-10(15(17)18)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-12H,2-5,16H2,1H3,(H,17,18)
InChIKeyRCQIHCRKQNVEGY-UHFFFAOYSA-N
XLogP3.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid?
The IUPAC name of 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid (CID 68682139) is 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid.
What is the SMILES notation for 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid?
The canonical SMILES for 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid is CC(C(=O)O)C1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid?
The InChIKey is RCQIHCRKQNVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(15(17)18)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-12H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid?
2-[4-(4-aminophenyl)cyclohexyl]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)cyclohexyl]propanoic acid is sourced from PubChem (CID 68682139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).