cyclobutyl 4-(aminomethyl)benzoate

C12H15NO2 — CID 62217403

IUPACcyclobutyl 4-(aminomethyl)benzoate
SMILESNCc1ccc(C(=O)OC2CCC2)cc1
InChIInChI=1S/C12H15NO2/c13-8-9-4-6-10(7-5-9)12(14)15-11-2-1-3-11/h4-7,11H,1-3,8,13H2
InChIKeyCWXJFBVOXNECQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds3

About cyclobutyl 4-(aminomethyl)benzoate

cyclobutyl 4-(aminomethyl)benzoate (PubChem CID 62217403) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is cyclobutyl 4-(aminomethyl)benzoate.

Molecular Properties

Compound Namecyclobutyl 4-(aminomethyl)benzoate
PubChem CID62217403
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namecyclobutyl 4-(aminomethyl)benzoate
SMILESNCc1ccc(C(=O)OC2CCC2)cc1
InChIInChI=1S/C12H15NO2/c13-8-9-4-6-10(7-5-9)12(14)15-11-2-1-3-11/h4-7,11H,1-3,8,13H2
InChIKeyCWXJFBVOXNECQP-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-(aminomethyl)benzoate?
The IUPAC name of cyclobutyl 4-(aminomethyl)benzoate (CID 62217403) is cyclobutyl 4-(aminomethyl)benzoate.
What is the SMILES notation for cyclobutyl 4-(aminomethyl)benzoate?
The canonical SMILES for cyclobutyl 4-(aminomethyl)benzoate is NCc1ccc(C(=O)OC2CCC2)cc1.
What is the InChIKey of cyclobutyl 4-(aminomethyl)benzoate?
The InChIKey is CWXJFBVOXNECQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-8-9-4-6-10(7-5-9)12(14)15-11-2-1-3-11/h4-7,11H,1-3,8,13H2.
What are the key properties of cyclobutyl 4-(aminomethyl)benzoate?
cyclobutyl 4-(aminomethyl)benzoate has a molecular weight of 205.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-(aminomethyl)benzoate is sourced from PubChem (CID 62217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).