2-[1-(4-aminophenyl)cyclobutyl]butanoic acid

C14H19NO2 — CID 91543676

IUPAC2-[1-(4-aminophenyl)cyclobutyl]butanoic acid
SMILESCCC(C(=O)O)C1(c2ccc(N)cc2)CCC1
InChIInChI=1S/C14H19NO2/c1-2-12(13(16)17)14(8-3-9-14)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyLQGXRSXYZNFDHN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid

2-[1-(4-aminophenyl)cyclobutyl]butanoic acid (PubChem CID 91543676) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)cyclobutyl]butanoic acid
PubChem CID91543676
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[1-(4-aminophenyl)cyclobutyl]butanoic acid
SMILESCCC(C(=O)O)C1(c2ccc(N)cc2)CCC1
InChIInChI=1S/C14H19NO2/c1-2-12(13(16)17)14(8-3-9-14)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyLQGXRSXYZNFDHN-UHFFFAOYSA-N
XLogP2.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814
2-[1-(4-aminophenyl)cyclobutyl]acetic acid
CID 21077925
2-[1-(4-aminophenyl)cyclopropyl]propanamide
CID 153406658
N-methyl-2-(1-phenylcyclohexyl)butanamide
CID 68983886
hydroperoxyethane;4-(1-methylcyclobutyl)aniline
CID 142556630
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]butanoic acid
CID 116875200
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid
CID 176908723
2-[1-(4-aminophenyl)cyclopentyl]acetic acid
CID 21077926
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-(1-cyanobutan-2-yl)cyclopropane-1-carboxamide
CID 112558350

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid?
The IUPAC name of 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid (CID 91543676) is 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid.
What is the SMILES notation for 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid?
The canonical SMILES for 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid is CCC(C(=O)O)C1(c2ccc(N)cc2)CCC1.
What is the InChIKey of 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid?
The InChIKey is LQGXRSXYZNFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-12(13(16)17)14(8-3-9-14)10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid?
2-[1-(4-aminophenyl)cyclobutyl]butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)cyclobutyl]butanoic acid is sourced from PubChem (CID 91543676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).