methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate

C12H15NO2 — CID 59362260

IUPACmethyl 1-(4-aminophenyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N)cc2)CCC1
InChIInChI=1S/C12H15NO2/c1-15-11(14)12(7-2-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3
InChIKeyNGAUPYHKVCKENR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds2

About methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate

methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate (PubChem CID 59362260) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-aminophenyl)cyclobutane-1-carboxylate
PubChem CID59362260
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 1-(4-aminophenyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N)cc2)CCC1
InChIInChI=1S/C12H15NO2/c1-15-11(14)12(7-2-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3
InChIKeyNGAUPYHKVCKENR-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate (CID 59362260) is methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate is COC(=O)C1(c2ccc(N)cc2)CCC1.
What is the InChIKey of methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate?
The InChIKey is NGAUPYHKVCKENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11(14)12(7-2-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3.
What are the key properties of methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate?
methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 59362260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).