2-(3-aminophenyl)-2-cyclobutylacetic acid

C12H15NO2 — CID 166080335

IUPAC2-(3-aminophenyl)-2-cyclobutylacetic acid
SMILESNc1cccc(C(C(=O)O)C2CCC2)c1
InChIInChI=1S/C12H15NO2/c13-10-6-2-5-9(7-10)11(12(14)15)8-3-1-4-8/h2,5-8,11H,1,3-4,13H2,(H,14,15)
InChIKeyIQHMOFFUNKCCKC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-aminophenyl)-2-cyclobutylacetic acid

2-(3-aminophenyl)-2-cyclobutylacetic acid (PubChem CID 166080335) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-2-cyclobutylacetic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)-2-cyclobutylacetic acid
PubChem CID166080335
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(3-aminophenyl)-2-cyclobutylacetic acid
SMILESNc1cccc(C(C(=O)O)C2CCC2)c1
InChIInChI=1S/C12H15NO2/c13-10-6-2-5-9(7-10)11(12(14)15)8-3-1-4-8/h2,5-8,11H,1,3-4,13H2,(H,14,15)
InChIKeyIQHMOFFUNKCCKC-UHFFFAOYSA-N
XLogP2.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
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

(2S)-2-(3-aminophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10799703
(3-aminophenyl)-cyclobutylmethanol
CID 105437114
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
3-(1-cyclobutylethyl)aniline
CID 115014570
3-(1-cyclobutyl-2-fluoroethyl)aniline
CID 115019523
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
CID 125466620
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
3-[amino(cyclobutyl)methyl]benzoic acid
CID 105457514
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-3-oxobutanoic acid
CID 141079800

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-2-cyclobutylacetic acid?
The IUPAC name of 2-(3-aminophenyl)-2-cyclobutylacetic acid (CID 166080335) is 2-(3-aminophenyl)-2-cyclobutylacetic acid.
What is the SMILES notation for 2-(3-aminophenyl)-2-cyclobutylacetic acid?
The canonical SMILES for 2-(3-aminophenyl)-2-cyclobutylacetic acid is Nc1cccc(C(C(=O)O)C2CCC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-2-cyclobutylacetic acid?
The InChIKey is IQHMOFFUNKCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-10-6-2-5-9(7-10)11(12(14)15)8-3-1-4-8/h2,5-8,11H,1,3-4,13H2,(H,14,15).
What are the key properties of 2-(3-aminophenyl)-2-cyclobutylacetic acid?
2-(3-aminophenyl)-2-cyclobutylacetic acid has a molecular weight of 205.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-2-cyclobutylacetic acid is sourced from PubChem (CID 166080335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).