methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate

C11H14N2O2 — CID 129249588

IUPACmethyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(c2cc(N)ccn2)C1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)8-4-7(5-8)10-6-9(12)2-3-13-10/h2-3,6-8H,4-5H2,1H3,(H2,12,13)
InChIKeyTUXPLURKYZPUJO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.33
Rot. Bonds2

About methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate

methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate (PubChem CID 129249588) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate
PubChem CID129249588
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(c2cc(N)ccn2)C1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)8-4-7(5-8)10-6-9(12)2-3-13-10/h2-3,6-8H,4-5H2,1H3,(H2,12,13)
InChIKeyTUXPLURKYZPUJO-UHFFFAOYSA-N
XLogP1.33
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate (CID 129249588) is methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate is COC(=O)C1CC(c2cc(N)ccn2)C1.
What is the InChIKey of methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate?
The InChIKey is TUXPLURKYZPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)8-4-7(5-8)10-6-9(12)2-3-13-10/h2-3,6-8H,4-5H2,1H3,(H2,12,13).
What are the key properties of methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate?
methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-2-pyridinyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 129249588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).