methyl 2-amino-5-cyclobutylbenzoate

C12H15NO2 — CID 107367727

IUPACmethyl 2-amino-5-cyclobutylbenzoate
SMILESCOC(=O)c1cc(C2CCC2)ccc1N
InChIInChI=1S/C12H15NO2/c1-15-12(14)10-7-9(5-6-11(10)13)8-3-2-4-8/h5-8H,2-4,13H2,1H3
InChIKeyTWTLGTBKXCEXPE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-amino-5-cyclobutylbenzoate

methyl 2-amino-5-cyclobutylbenzoate (PubChem CID 107367727) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-amino-5-cyclobutylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-cyclobutylbenzoate
PubChem CID107367727
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-amino-5-cyclobutylbenzoate
SMILESCOC(=O)c1cc(C2CCC2)ccc1N
InChIInChI=1S/C12H15NO2/c1-15-12(14)10-7-9(5-6-11(10)13)8-3-2-4-8/h5-8H,2-4,13H2,1H3
InChIKeyTWTLGTBKXCEXPE-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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 2-amino-5-cyclobutylbenzoate?
The IUPAC name of methyl 2-amino-5-cyclobutylbenzoate (CID 107367727) is methyl 2-amino-5-cyclobutylbenzoate.
What is the SMILES notation for methyl 2-amino-5-cyclobutylbenzoate?
The canonical SMILES for methyl 2-amino-5-cyclobutylbenzoate is COC(=O)c1cc(C2CCC2)ccc1N.
What is the InChIKey of methyl 2-amino-5-cyclobutylbenzoate?
The InChIKey is TWTLGTBKXCEXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)10-7-9(5-6-11(10)13)8-3-2-4-8/h5-8H,2-4,13H2,1H3.
What are the key properties of methyl 2-amino-5-cyclobutylbenzoate?
methyl 2-amino-5-cyclobutylbenzoate has a molecular weight of 205.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-cyclobutylbenzoate is sourced from PubChem (CID 107367727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).